A0A3Q0KLK5_SCHMA Loading...

Calponin-homology (CH) domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KLK5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 672 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	44.7	Very low	58.9	Low	190 Å²	190	98.9 Å²	98.9	94%	0.936	53%	0.532	S	S	*	.				0	-56.5	0	-82.9	-152.8	-83.3	0	0	112.6	T4 I5	M1-T4 WeakPolarHBondContact CA-OG1 3.4Å; M1-T4 PolarHBondContact N-OG1 3.14Å; M1-T4 PolarHBondContact O-OG1 2.97Å; M1-I5 WeakPolarHBondContact O-CD1 3.49Å; M1-I5 VanDerWaalsContact O-CG1 3.25Å; M1-I5 WeakPolarHBondContact O-CG1 3.39Å; M1-I5 PolarHBondContact O-N 2.73Å
2	L	35.8	Very low	61.6	Low	151 Å²	151	99.8 Å²	99.8	79%	0.791	53%	0.531	S	S	*	.	H	α-helix	trans	-67.8	-49.1	176.2	-79.1	163.8	0	0	0	112.7	T4 I5 T6	L2-T4 VanDerWaalsContact C-N 3.29Å; L2-T4 PolarHBondContact O-N 2.92Å; L2-I5 PolarHBondContact O-N 2.73Å; L2-T6 PolarHBondContact O-N 3.02Å; L2-T6 VanDerWaalsContact O-N 3.12Å; L2-T6 PolarHBondContact O-OG1 3.36Å
3	E	42.8	Very low	64	Low	165 Å²	165	98 Å²	98	77%	0.771	53%	0.531	S	S	*	.	H	α-helix	trans	-58.9	-38.1	178.9	-68.1	166.4	151.8	0	0	113.1	I5 T6 S7	E3-I5 VanDerWaalsContact C-N 3.34Å; E3-I5 PolarHBondContact O-N 2.66Å; E3-T6 WeakPolarHBondContact CA-OG1 3.39Å; E3-T6 PolarHBondContact O-N 3.43Å; E3-T6 PolarHBondContact O-OG1 2.8Å; E3-S7 PolarHBondContact O-N 3.43Å; E3-S7 PolarHBondContact O-OG 3.2Å
4	T	46.4	Very low	66.1	Low	84 Å²	84	94 Å²	94	52%	0.515	51%	0.505	S	S	.	.	H	α-helix	trans	-68.9	-27.5	176.8	45.5	0	0	0	0	113.7	M1 L2 S7 Q8	M1-T4 WeakPolarHBondContact CA-OG1 3.4Å; M1-T4 PolarHBondContact N-OG1 3.14Å; M1-T4 PolarHBondContact O-OG1 2.97Å; L2-T4 VanDerWaalsContact C-N 3.29Å; L2-T4 PolarHBondContact O-N 2.92Å; T4-S7 PolarHBondContact O-OG 2.95Å; T4-Q8 PolarHBondContact O-N 2.74Å
5	I	42.4	Very low	68	Low	112 Å²	112	88.9 Å²	88.9	57%	0.574	48%	0.477	S	S	*	.	H	α-helix	trans	-78.7	-37.7	175.4	-68.1	163.8	0	0	0	109.7	M1 L2 E3 S9	M1-I5 WeakPolarHBondContact O-CD1 3.49Å; M1-I5 VanDerWaalsContact O-CG1 3.25Å; M1-I5 WeakPolarHBondContact O-CG1 3.39Å; M1-I5 PolarHBondContact O-N 2.73Å; L2-I5 PolarHBondContact O-N 2.73Å; E3-I5 VanDerWaalsContact C-N 3.34Å; E3-I5 PolarHBondContact O-N 2.66Å; I5-S9 PolarHBondContact O-N 3.01Å; I5-S9 PolarHBondContact O-OG 3.07Å
6	T	56.7	Low	69.7	Low	84 Å²	84	91.1 Å²	91.1	52%	0.515	48%	0.481	S	S	.	.	H	α-helix	trans	-63.8	-45.9	175.2	44.2	0	0	0	0	112	L2 E3 S9 T10	L2-T6 PolarHBondContact O-N 3.02Å; L2-T6 VanDerWaalsContact O-N 3.12Å; L2-T6 PolarHBondContact O-OG1 3.36Å; E3-T6 WeakPolarHBondContact CA-OG1 3.39Å; E3-T6 PolarHBondContact O-N 3.43Å; E3-T6 PolarHBondContact O-OG1 2.8Å; T6-S9 PolarHBondContact O-N 3.36Å; T6-S9 PolarHBondContact O-OG 2.86Å; T6-T10 PolarHBondContact O-N 3.2Å; T6-T10 VanDerWaalsContact O-N 3.1Å; T6-T10 PolarHBondContact O-OG1 3.48Å
7	S	61.1	Low	71.1	Confident	50 Å²	50	87.9 Å²	87.9	35%	0.35	46%	0.461	S	S	.	.	H	α-helix	trans	-64	-43.8	-179.2	58.1	0	0	0	0	112.9	E3 T4 S9 T10 E11	E3-S7 PolarHBondContact O-N 3.43Å; E3-S7 PolarHBondContact O-OG 3.2Å; T4-S7 PolarHBondContact O-OG 2.95Å; S7-S9 PolarHBondContact O-N 2.74Å; S7-T10 WeakPolarHBondContact CA-OG1 3.25Å; S7-T10 PolarHBondContact O-N 3.45Å; S7-T10 PolarHBondContact O-OG1 2.99Å; S7-E11 WeakPolarHBondContact O-CB 3.42Å; S7-E11 PolarHBondContact O-N 3.24Å
8	Q	62.8	Low	72.5	Confident	108 Å²	108	83.1 Å²	83.1	51%	0.505	44%	0.436	S	S	.	.	H	α-helix	trans	-61.6	-42.6	176.4	-172.3	-179.9	-15.9	0	0	111.9	T4 T10 E11 E12	T4-Q8 PolarHBondContact O-N 2.74Å; Q8-T10 VanDerWaalsContact C-N 3.32Å; Q8-T10 PolarHBondContact O-N 3.21Å; Q8-E11 WeakPolarHBondContact O-CB 3.38Å; Q8-E11 PolarHBondContact O-N 3.27Å; Q8-E12 HydrophobicContact CG-CG 4.47Å; Q8-E12 WeakPolarHBondContact CG-OE1 3.32Å; Q8-E12 PolarHBondContact NE2-OE1 2.77Å; Q8-E12 WeakPolarHBondContact O-CG 3.25Å; Q8-E12 PolarHBondContact O-N 3.35Å
9	S	78.4	Confident	73.8	Confident	60 Å²	60	80.1 Å²	80.1	42%	0.42	42%	0.42	S	S	.	.	H	α-helix	trans	-64.7	-34.6	178	72.8	0	0	0	0	113.2	I5 T6 S7 S13	I5-S9 PolarHBondContact O-N 3.01Å; I5-S9 PolarHBondContact O-OG 3.07Å; T6-S9 PolarHBondContact O-N 3.36Å; T6-S9 PolarHBondContact O-OG 2.86Å; S7-S9 PolarHBondContact O-N 2.74Å; S9-S13 WeakPolarHBondContact O-CB 3.44Å; S9-S13 PolarHBondContact O-N 3.38Å; S9-S13 PolarHBondContact O-OG 3.21Å
10	T	86.7	Confident	74.8	Confident	60 Å²	60	79.6 Å²	79.6	37%	0.368	42%	0.418	S	S	.	.	H	α-helix	trans	-70.6	-41.6	173.8	46.4	0	0	0	0	111.4	T6 S7 Q8 S13 Y14	T6-T10 PolarHBondContact O-N 3.2Å; T6-T10 VanDerWaalsContact O-N 3.1Å; T6-T10 PolarHBondContact O-OG1 3.48Å; S7-T10 WeakPolarHBondContact CA-OG1 3.25Å; S7-T10 PolarHBondContact O-N 3.45Å; S7-T10 PolarHBondContact O-OG1 2.99Å; Q8-T10 VanDerWaalsContact C-N 3.32Å; Q8-T10 PolarHBondContact O-N 3.21Å; T10-S13 WeakPolarHBondContact O-CB 3.42Å; T10-S13 PolarHBondContact O-N 2.71Å; T10-Y14 VanDerWaalsContact O-CD2 3.26Å; T10-Y14 WeakPolarHBondContact O-CD2 3.49Å; T10-Y14 PolarHBondContact O-N 3.46Å
11	E	90.1	Very high	75.8	Confident	24 Å²	24	77.7 Å²	77.7	11%	0.112	41%	0.407	C	S	.	.	H	α-helix	trans	-60.4	-52.7	178.8	-171.7	-153.1	159	0	0	112.1	S7 Q8 S13 Y14 I15 L34 K101	S7-E11 WeakPolarHBondContact O-CB 3.42Å; S7-E11 PolarHBondContact O-N 3.24Å; Q8-E11 WeakPolarHBondContact O-CB 3.38Å; Q8-E11 PolarHBondContact O-N 3.27Å; E11-S13 PolarHBondContact O-N 2.95Å; E11-Y14 CarbonylContact O-C 3.6Å; E11-Y14 PolarHBondContact O-N 3.39Å; E11-I15 HydrophobicContact CG-CD1 3.87Å; E11-I15 HydrophobicContact CG-CG1 4.48Å; E11-I15 WeakPolarHBondContact O-CG1 3.31Å; E11-I15 PolarHBondContact O-N 2.97Å; E11-I15 WeakPolarHBondContact OE1-CD1 3.47Å; E11-L34 HydrophobicContact CG-CD1 3.71Å; E11-L34 HydrophobicContact CG-CG 3.93Å; E11-K101 WeakPolarHBondContact OE1-CE 3.18Å; E11-K101 IonicContact OE1-NZ 2.71Å; E11-K101 PolarHBondContact OE1-NZ 3.01Å; E11-K101 WeakPolarHBondContact OE2-CE 3.48Å; E11-K101 IonicContact OE2-NZ 2.67Å; E11-K101 PolarHBondContact OE2-NZ 3.43Å
12	E	91.7	Very high	78.2	Confident	109 Å²	109	68.6 Å²	68.6	51%	0.509	36%	0.362	S	S	.	.	H	α-helix	trans	-57.1	-36.3	178.1	-70.8	173.8	-169.6	0	0	111.4	Q8 K16	Q8-E12 HydrophobicContact CG-CG 4.47Å; Q8-E12 WeakPolarHBondContact CG-OE1 3.32Å; Q8-E12 PolarHBondContact NE2-OE1 2.77Å; Q8-E12 WeakPolarHBondContact O-CG 3.25Å; Q8-E12 PolarHBondContact O-N 3.35Å; E12-K16 WeakPolarHBondContact O-CB 3.47Å; E12-K16 PolarHBondContact O-N 3.22Å
13	S	92	Very high	81	Confident	77 Å²	77	65.1 Å²	65.1	54%	0.538	35%	0.347	S	S	.	.	H	α-helix	trans	-66.3	-41.6	174.7	-58.5	0	0	0	0	112.6	S9 T10 E11 W17	S9-S13 WeakPolarHBondContact O-CB 3.44Å; S9-S13 PolarHBondContact O-N 3.38Å; S9-S13 PolarHBondContact O-OG 3.21Å; T10-S13 WeakPolarHBondContact O-CB 3.42Å; T10-S13 PolarHBondContact O-N 2.71Å; E11-S13 PolarHBondContact O-N 2.95Å; S13-W17 WeakPolarHBondContact O-CB 3.32Å; S13-W17 PolarHBondContact O-N 3.1Å
14	Y	93.8	Very high	83.4	Confident	42 Å²	42	63.4 Å²	63.4	17%	0.165	34%	0.337	C	S	.	.	H	α-helix	trans	-73.6	-35.8	177.3	-84.9	-73.8	0	0	0	113	T10 E11 W17 L18 L105 L108 I109 N112	T10-Y14 VanDerWaalsContact O-CD2 3.26Å; T10-Y14 WeakPolarHBondContact O-CD2 3.49Å; T10-Y14 PolarHBondContact O-N 3.46Å; E11-Y14 CarbonylContact O-C 3.6Å; E11-Y14 PolarHBondContact O-N 3.39Å; Y14-W17 HydrophobicContact CD1-CE3 4Å; Y14-W17 HydrophobicContact CD1-CZ3 4.43Å; Y14-W17 PolarHBondContact O-N 2.88Å; Y14-L18 VanDerWaalsContact O-CB 3.23Å; Y14-L18 WeakPolarHBondContact O-CB 3.13Å; Y14-L18 PolarHBondContact O-N 3.12Å; Y14-L105 HydrophobicContact CD2-CD1 3.54Å; Y14-L105 HydrophobicContact CE2-CD1 4.3Å; Y14-L105 HydrophobicContact CG-CD1 3.92Å; Y14-L108 HydrophobicContact CD1-CB 4.28Å; Y14-I109 HydrophobicContact CD2-CG1 4.35Å; Y14-I109 HydrophobicContact CE1-CG1 4.16Å; Y14-I109 HydrophobicContact CE2-CD1 4.35Å; Y14-I109 HydrophobicContact CE2-CG1 3.58Å; Y14-I109 VanDerWaalsContact CZ-CG1 3.49Å; Y14-N112 HydrophobicContact CE1-CB 3.94Å
15	I	95	Very high	85.5	Confident	18 Å²	18	59.9 Å²	59.9	9%	0.092	32%	0.316	C	S	.	.	H	α-helix	trans	-62.2	-44.6	171.3	-69.1	166.7	0	0	0	110	E11 L18 N19 V31 L34	E11-I15 HydrophobicContact CG-CD1 3.87Å; E11-I15 HydrophobicContact CG-CG1 4.48Å; E11-I15 WeakPolarHBondContact O-CG1 3.31Å; E11-I15 PolarHBondContact O-N 2.97Å; E11-I15 WeakPolarHBondContact OE1-CD1 3.47Å; I15-L18 PolarHBondContact O-N 3.16Å; I15-N19 WeakPolarHBondContact O-CB 3.43Å; I15-N19 PolarHBondContact O-N 3.15Å; I15-N19 PolarHBondContact O-ND2 3.31Å; I15-V31 WeakPolarHBondContact CG2-O 3.22Å; I15-L34 HydrophobicContact CD1-CD2 4.38Å; I15-L34 HydrophobicContact CD1-CG 4.2Å; I15-L34 HydrophobicContact CG1-CD2 3.65Å; I15-L34 HydrophobicContact CG1-CG 3.98Å
16	K	94.6	Very high	87.7	Confident	124 Å²	124	61 Å²	61	54%	0.539	33%	0.329	S	S	.	.	H	α-helix	trans	-60.3	-50	174.7	-172.5	-170.6	175.5	-62.2	0	111.4	E12 L18 N19 D20	E12-K16 WeakPolarHBondContact O-CB 3.47Å; E12-K16 PolarHBondContact O-N 3.22Å; K16-L18 VanDerWaalsContact C-N 3.3Å; K16-L18 PolarHBondContact O-N 2.8Å; K16-N19 PolarHBondContact O-N 3.46Å; K16-D20 IonicContact NZ-OD1 2.66Å; K16-D20 PolarHBondContact NZ-OD1 3.03Å; K16-D20 IonicContact NZ-OD2 2.72Å; K16-D20 PolarHBondContact NZ-OD2 3.3Å; K16-D20 WeakPolarHBondContact O-CB 3.45Å; K16-D20 VanDerWaalsContact O-CG 3.22Å; K16-D20 PolarHBondContact O-N 3.07Å
17	W	94.4	Very high	89.2	Confident	36 Å²	36	61 Å²	61	14%	0.136	33%	0.33	C	S	.	.	H	α-helix	trans	-58.9	-40.1	177.8	168.2	87.3	0	0	0	112.7	S13 Y14 D20 H21 L48 L108 I111 N112	S13-W17 WeakPolarHBondContact O-CB 3.32Å; S13-W17 PolarHBondContact O-N 3.1Å; Y14-W17 HydrophobicContact CD1-CE3 4Å; Y14-W17 HydrophobicContact CD1-CZ3 4.43Å; Y14-W17 PolarHBondContact O-N 2.88Å; W17-D20 PolarHBondContact O-N 3.25Å; W17-H21 AromaticContact CD1-CE1 3.83Å; W17-H21 AromaticContact NE1-CE1 3.53Å; W17-H21 AromaticContact NE1-ND1 3.98Å; W17-H21 PolarHBondContact O-N 2.8Å; W17-H21 PolarHBondContact O-ND1 3.44Å; W17-L48 HydrophobicContact CH2-CD1 4.33Å; W17-L48 HydrophobicContact CH2-CD2 3.86Å; W17-L48 HydrophobicContact CZ3-CD2 3.96Å; W17-L108 HydrophobicContact CZ3-CD2 4.31Å; W17-I111 HydrophobicContact CH2-CG2 4.21Å; W17-N112 VanDerWaalsContact CE2-OD1 3.27Å; W17-N112 HydrophobicContact CH2-CB 3.84Å; W17-N112 HydrophobicContact CZ2-CB 3.67Å; W17-N112 WeakPolarHBondContact CZ2-OD1 3.25Å; W17-N112 HydrophobicContact CZ3-CB 4.47Å; W17-N112 PolarHBondContact NE1-OD1 3.3Å; W17-N112 VanDerWaalsContact NE1-OD1 3.1Å
18	L	95.8	Very high	90.6	Very high	2 Å²	2	62.9 Å²	62.9	1%	0.01	34%	0.341	C	S	.	.	H	α-helix	trans	-62.4	-49.4	175.7	178.5	61.7	0	0	0	110.6	Y14 I15 K16 D20 H21 L22 V31 I39 L48	Y14-L18 VanDerWaalsContact O-CB 3.23Å; Y14-L18 WeakPolarHBondContact O-CB 3.13Å; Y14-L18 PolarHBondContact O-N 3.12Å; I15-L18 PolarHBondContact O-N 3.16Å; K16-L18 VanDerWaalsContact C-N 3.3Å; K16-L18 PolarHBondContact O-N 2.8Å; L18-D20 PolarHBondContact O-N 3.41Å; L18-H21 PolarHBondContact O-N 3.39Å; L18-L22 HydrophobicContact CD1-CD1 3.83Å; L18-L22 HydrophobicContact CD1-CD2 4.44Å; L18-L22 HydrophobicContact CD1-CG 3.9Å; L18-L22 HydrophobicContact CD2-CD1 4.24Å; L18-L22 HydrophobicContact CG-CD1 3.68Å; L18-L22 HydrophobicContact CG-CG 4.1Å; L18-L22 WeakPolarHBondContact O-CG 3.46Å; L18-L22 PolarHBondContact O-N 3.33Å; L18-V31 HydrophobicContact CD2-CB 4.2Å; L18-V31 HydrophobicContact CD2-CG1 4.33Å; L18-V31 HydrophobicContact CD2-CG2 3.98Å; L18-I39 HydrophobicContact CD2-CD1 3.76Å; L18-I39 HydrophobicContact CD2-CG1 4.41Å; L18-L48 HydrophobicContact CD1-CB 4.23Å; L18-L48 HydrophobicContact CD1-CD1 4.09Å; L18-L48 HydrophobicContact CD1-CD2 3.86Å; L18-L48 HydrophobicContact CD1-CG 4.28Å
19	N	96.7	Very high	92.1	Very high	25 Å²	25	59.4 Å²	59.4	13%	0.134	33%	0.326	C	S	.	.	H	α-helix	trans	-64.3	-36.2	177.8	-73.1	-33.9	0	0	0	113.3	I15 K16 H21 L22 T23 I30 V31	I15-N19 WeakPolarHBondContact O-CB 3.43Å; I15-N19 PolarHBondContact O-N 3.15Å; I15-N19 PolarHBondContact O-ND2 3.31Å; K16-N19 PolarHBondContact O-N 3.46Å; N19-H21 PolarHBondContact O-N 3.42Å; N19-H21 VanDerWaalsContact O-N 3.07Å; N19-L22 PolarHBondContact O-N 3.4Å; N19-T23 WeakPolarHBondContact O-CB 3.35Å; N19-T23 VanDerWaalsContact O-CG2 3.25Å; N19-T23 WeakPolarHBondContact O-CG2 3.46Å; N19-T23 PolarHBondContact O-N 2.8Å; N19-T23 PolarHBondContact O-OG1 2.8Å; N19-I30 WeakPolarHBondContact OD1-CA 3.43Å; N19-V31 PolarHBondContact ND2-O 2.73Å; N19-V31 PolarHBondContact OD1-N 3.47Å; N19-V31 PolarHBondContact OD1-O 3.21Å
20	D	94.9	Very high	92.9	Very high	71 Å²	71	60.5 Å²	60.5	38%	0.38	33%	0.326	S	S	.	.	H	α-helix	trans	-60.5	-16	173	-70.8	-27.2	0	0	0	112.2	K16 W17 L18 K24	K16-D20 IonicContact NZ-OD1 2.66Å; K16-D20 PolarHBondContact NZ-OD1 3.03Å; K16-D20 IonicContact NZ-OD2 2.72Å; K16-D20 PolarHBondContact NZ-OD2 3.3Å; K16-D20 WeakPolarHBondContact O-CB 3.45Å; K16-D20 VanDerWaalsContact O-CG 3.22Å; K16-D20 PolarHBondContact O-N 3.07Å; W17-D20 PolarHBondContact O-N 3.25Å; L18-D20 PolarHBondContact O-N 3.41Å; D20-K24 WeakPolarHBondContact O-CE 3.41Å; D20-K24 PolarHBondContact O-NZ 3.39Å
21	H	94.6	Very high	93.3	Very high	39 Å²	39	57.7 Å²	57.7	18%	0.181	31%	0.309	C	S	.	.	H	α-helix	trans	-101.4	-49.1	170.5	-65.9	91.3	0	0	0	112.9	W17 L18 N19 T23 K24 L48 I51 I52	W17-H21 AromaticContact CD1-CE1 3.83Å; W17-H21 AromaticContact NE1-CE1 3.53Å; W17-H21 AromaticContact NE1-ND1 3.98Å; W17-H21 PolarHBondContact O-N 2.8Å; W17-H21 PolarHBondContact O-ND1 3.44Å; L18-H21 PolarHBondContact O-N 3.39Å; N19-H21 PolarHBondContact O-N 3.42Å; N19-H21 VanDerWaalsContact O-N 3.07Å; H21-T23 PolarHBondContact O-N 3.12Å; H21-K24 VanDerWaalsContact O-CB 3.25Å; H21-K24 WeakPolarHBondContact O-CB 3.48Å; H21-K24 PolarHBondContact O-N 3.18Å; H21-L48 HydrophobicContact CB-CD1 3.67Å; H21-I51 HydrophobicContact CB-CG2 4.34Å; H21-I51 WeakPolarHBondContact O-CD1 3.38Å; H21-I52 HydrophobicContact CB-CG2 4.32Å; H21-I52 WeakPolarHBondContact CD2-CG2 3.34Å
22	L	96.2	Very high	93.5	Very high	0 Å²	0	64.7 Å²	64.7	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-62.4	-26.5	-176.9	-71.2	-173.5	0	0	0	114.2	L18 N19 K24 A25 L29 V31 A44 V47 L48	L18-L22 HydrophobicContact CD1-CD1 3.83Å; L18-L22 HydrophobicContact CD1-CD2 4.44Å; L18-L22 HydrophobicContact CD1-CG 3.9Å; L18-L22 HydrophobicContact CD2-CD1 4.24Å; L18-L22 HydrophobicContact CG-CD1 3.68Å; L18-L22 HydrophobicContact CG-CG 4.1Å; L18-L22 WeakPolarHBondContact O-CG 3.46Å; L18-L22 PolarHBondContact O-N 3.33Å; N19-L22 PolarHBondContact O-N 3.4Å; L22-K24 PolarHBondContact O-N 3.23Å; L22-A25 WeakPolarHBondContact O-CB 3.26Å; L22-A25 PolarHBondContact O-N 2.99Å; L22-L29 CarbonylContact C-O 3.37Å; L22-L29 HydrophobicContact CB-CB 4.03Å; L22-L29 WeakPolarHBondContact CB-O 3.23Å; L22-L29 HydrophobicContact CD1-CB 4.24Å; L22-L29 HydrophobicContact CD2-CB 4.45Å; L22-L29 HydrophobicContact CG-CB 4.48Å; L22-L29 PolarHBondContact O-N 3.04Å; L22-V31 HydrophobicContact CD1-CG2 3.86Å; L22-A44 HydrophobicContact CD1-CB 4.02Å; L22-V47 HydrophobicContact CD2-CB 4.3Å; L22-V47 HydrophobicContact CD2-CG1 4Å; L22-L48 HydrophobicContact CD2-CB 4.45Å
23	T	94.8	Very high	93.6	Very high	78 Å²	78	61.6 Å²	61.6	48%	0.479	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-16.1	172.1	48.2	0	0	0	0	113.9	N19 H21	N19-T23 WeakPolarHBondContact O-CB 3.35Å; N19-T23 VanDerWaalsContact O-CG2 3.25Å; N19-T23 WeakPolarHBondContact O-CG2 3.46Å; N19-T23 PolarHBondContact O-N 2.8Å; N19-T23 PolarHBondContact O-OG1 2.8Å; H21-T23 PolarHBondContact O-N 3.12Å
24	K	92.8	Very high	93.7	Very high	128 Å²	128	57.9 Å²	57.9	56%	0.557	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87	-9.7	174.3	-55.6	162.9	-179.6	139.3	0	112.8	D20 H21 L22 I51	D20-K24 WeakPolarHBondContact O-CE 3.41Å; D20-K24 PolarHBondContact O-NZ 3.39Å; H21-K24 VanDerWaalsContact O-CB 3.25Å; H21-K24 WeakPolarHBondContact O-CB 3.48Å; H21-K24 PolarHBondContact O-N 3.18Å; L22-K24 PolarHBondContact O-N 3.23Å; K24-I51 HydrophobicContact CD-CG2 4.33Å
25	A	91.1	Very high	93.7	Very high	10 Å²	10	59.2 Å²	59.2	8%	0.083	31%	0.309	C	S	.	.	S	Bend	trans	-64.9	161.6	176.6	0	0	0	0	0	111.6	L22 P27 P28 V47 I51	L22-A25 WeakPolarHBondContact O-CB 3.26Å; L22-A25 PolarHBondContact O-N 2.99Å; A25-P27 VanDerWaalsContact C-C 3.44Å; A25-P27 CarbonylContact C-O 3.25Å; A25-P27 VanDerWaalsContact CB-O 3.28Å; A25-P27 WeakPolarHBondContact CB-O 3.43Å; A25-P27 CarbonylContact O-C 3.58Å; A25-P27 VanDerWaalsContact O-C 3.25Å; A25-P28 WeakPolarHBondContact O-CA 3.34Å; A25-P28 WeakPolarHBondContact O-CD 3.44Å; A25-P28 VanDerWaalsContact O-N 3.08Å; A25-V47 HydrophobicContact CB-CG1 3.69Å; A25-I51 HydrophobicContact CB-CD1 3.88Å
26	T	87.6	Confident	93.7	Very high	136 Å²	136	60.9 Å²	60.9	83%	0.834	32%	0.317	S	S	*	.	S	Bend	trans	-128.6	103.1	172.9	-58.3	0	0	0	0	109.4
27	P	87.6	Confident	93.6	Very high	83 Å²	83	61.2 Å²	61.2	54%	0.539	32%	0.32	S	S	.	.	S	Bend	cis	-68.9	154.3	-0.5	31.4	-36.5	0	0	0	112.9	A25	A25-P27 VanDerWaalsContact C-C 3.44Å; A25-P27 CarbonylContact C-O 3.25Å; A25-P27 VanDerWaalsContact CB-O 3.28Å; A25-P27 WeakPolarHBondContact CB-O 3.43Å; A25-P27 CarbonylContact O-C 3.58Å; A25-P27 VanDerWaalsContact O-C 3.25Å
28	P	92	Very high	93.6	Very high	90 Å²	90	61.4 Å²	61.4	58%	0.584	32%	0.324	S	S	*	.			trans	-58.8	138.8	172.9	-25.8	35.6	0	0	0	111.8	A25	A25-P28 WeakPolarHBondContact O-CA 3.34Å; A25-P28 WeakPolarHBondContact O-CD 3.44Å; A25-P28 VanDerWaalsContact O-N 3.08Å
29	L	94	Very high	93.7	Very high	36 Å²	36	61.3 Å²	61.3	19%	0.188	32%	0.323	C	S	.	.			trans	-111	153.5	174.6	-60.2	178.6	0	0	0	110.2	L22 I38 V43 V47	L22-L29 CarbonylContact C-O 3.37Å; L22-L29 HydrophobicContact CB-CB 4.03Å; L22-L29 WeakPolarHBondContact CB-O 3.23Å; L22-L29 HydrophobicContact CD1-CB 4.24Å; L22-L29 HydrophobicContact CD2-CB 4.45Å; L22-L29 HydrophobicContact CG-CB 4.48Å; L22-L29 PolarHBondContact O-N 3.04Å; L29-I38 HydrophobicContact CD1-CD1 3.97Å; L29-I38 HydrophobicContact CD2-CD1 3.84Å; L29-I38 HydrophobicContact CG-CD1 4.34Å; L29-V43 HydrophobicContact CD1-CG1 4.44Å; L29-V47 HydrophobicContact CD1-CB 4.26Å; L29-V47 HydrophobicContact CD1-CG1 4.17Å; L29-V47 HydrophobicContact CD1-CG2 4.14Å
30	I	94.5	Very high	93.7	Very high	83 Å²	83	60.4 Å²	60.4	43%	0.426	32%	0.318	S	S	.	.			trans	-141.7	143.2	175	-169.2	166.3	0	0	0	109.2	N19 Y32	N19-I30 WeakPolarHBondContact OD1-CA 3.43Å; I30-Y32 HydrophobicContact CD1-CE1 4.07Å; I30-Y32 HydrophobicContact CG1-CE1 4.44Å; I30-Y32 HydrophobicContact CG2-CE2 3.98Å
31	V	95.5	Very high	93.7	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	30%	0.304	C	S	.	.			trans	-124.1	137.6	177.2	170.9	0	0	0	0	108.3	I15 L18 N19 L22 D33 I38 I39 A44	I15-V31 WeakPolarHBondContact CG2-O 3.22Å; L18-V31 HydrophobicContact CD2-CB 4.2Å; L18-V31 HydrophobicContact CD2-CG1 4.33Å; L18-V31 HydrophobicContact CD2-CG2 3.98Å; N19-V31 PolarHBondContact ND2-O 2.73Å; N19-V31 PolarHBondContact OD1-N 3.47Å; N19-V31 PolarHBondContact OD1-O 3.21Å; L22-V31 HydrophobicContact CD1-CG2 3.86Å; V31-D33 VanDerWaalsContact CG1-O 3.23Å; V31-D33 WeakPolarHBondContact CG1-O 3.28Å; V31-I38 HydrophobicContact CG2-CG2 3.93Å; V31-I39 HydrophobicContact CB-CD1 4.36Å; V31-I39 HydrophobicContact CG1-CD1 3.5Å; V31-I39 HydrophobicContact CG1-CG1 4.36Å; V31-I39 HydrophobicContact CG2-CD1 4.01Å; V31-I39 HydrophobicContact CG2-CG1 4.08Å; V31-A44 HydrophobicContact CG2-CB 4.4Å
32	Y	94	Very high	93.8	Very high	171 Å²	171	55.8 Å²	55.8	67%	0.671	30%	0.295	S	S	*	.	S	Bend	trans	-107.8	-25.9	174.6	-53.8	-87.6	0	0	0	113.5	I30 E36	I30-Y32 HydrophobicContact CD1-CE1 4.07Å; I30-Y32 HydrophobicContact CG1-CE1 4.44Å; I30-Y32 HydrophobicContact CG2-CE2 3.98Å; Y32-E36 WeakPolarHBondContact CA-OE1 3.34Å; Y32-E36 VanDerWaalsContact CB-OE1 3.24Å; Y32-E36 WeakPolarHBondContact CB-OE1 3.44Å; Y32-E36 WeakPolarHBondContact CD2-OE1 3.39Å; Y32-E36 PolarHBondContact N-OE1 2.83Å
33	D	94	Very high	93.9	Very high	44 Å²	44	56.1 Å²	56.1	24%	0.235	30%	0.297	C	S	.	.	S	Bend	trans	-143.2	150	175.2	174.2	76.7	0	0	0	111.7	V31 T35 E36 K101	V31-D33 VanDerWaalsContact CG1-O 3.23Å; V31-D33 WeakPolarHBondContact CG1-O 3.28Å; D33-T35 PolarHBondContact O-N 3.1Å; D33-T35 WeakPolarHBondContact OD2-CA 3.38Å; D33-T35 VanDerWaalsContact OD2-CB 3.26Å; D33-T35 WeakPolarHBondContact OD2-CB 3.28Å; D33-T35 WeakPolarHBondContact OD2-CG2 3.36Å; D33-T35 PolarHBondContact OD2-N 3.33Å; D33-T35 PolarHBondContact OD2-OG1 3.48Å; D33-E36 PolarHBondContact N-OE1 3Å; D33-E36 WeakPolarHBondContact O-CB 3.17Å; D33-E36 WeakPolarHBondContact O-CG 3.42Å; D33-E36 PolarHBondContact O-N 3.36Å; D33-K101 IonicContact OD1-NZ 2.8Å; D33-K101 PolarHBondContact OD1-NZ 3.29Å
34	L	93.8	Very high	94	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-16.1	-177.8	-66.9	-170.9	0	0	0	114.7	E11 I15 I39 K101 V104 L105 L108	E11-L34 HydrophobicContact CG-CD1 3.71Å; E11-L34 HydrophobicContact CG-CG 3.93Å; I15-L34 HydrophobicContact CD1-CD2 4.38Å; I15-L34 HydrophobicContact CD1-CG 4.2Å; I15-L34 HydrophobicContact CG1-CD2 3.65Å; I15-L34 HydrophobicContact CG1-CG 3.98Å; L34-I39 HydrophobicContact CD2-CD1 3.98Å; L34-K101 HydrophobicContact CB-CG 4.39Å; L34-V104 HydrophobicContact CB-CG1 3.98Å; L34-V104 HydrophobicContact CD1-CG1 4.36Å; L34-V104 HydrophobicContact CD2-CG1 4.4Å; L34-V104 HydrophobicContact CG-CG1 4.48Å; L34-L105 HydrophobicContact CD1-CB 4.04Å; L34-L105 HydrophobicContact CD1-CD1 4.06Å; L34-L108 HydrophobicContact CD1-CD1 4.43Å; L34-L108 HydrophobicContact CD2-CD1 3.57Å
35	T	93.9	Very high	94.1	Very high	70 Å²	70	46.4 Å²	46.4	43%	0.429	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.4	7.8	177.2	74.7	0	0	0	0	113.3	D33 C40 G99 K101	D33-T35 PolarHBondContact O-N 3.1Å; D33-T35 WeakPolarHBondContact OD2-CA 3.38Å; D33-T35 VanDerWaalsContact OD2-CB 3.26Å; D33-T35 WeakPolarHBondContact OD2-CB 3.28Å; D33-T35 WeakPolarHBondContact OD2-CG2 3.36Å; D33-T35 PolarHBondContact OD2-N 3.33Å; D33-T35 PolarHBondContact OD2-OG1 3.48Å; T35-C40 PolarHBondContact O-SG 2.79Å; T35-G99 WeakPolarHBondContact CG2-O 3.44Å; T35-K101 HydrophobicContact CG2-CB 4.04Å; T35-K101 HydrophobicContact CG2-CD 4.16Å; T35-K101 HydrophobicContact CG2-CG 4.36Å
36	E	94.5	Very high	94.4	Very high	53 Å²	53	45.9 Å²	45.9	25%	0.248	24%	0.244	C	C	.	.			trans	-62.6	144.8	177.7	-83.6	-174.6	-152.1	0	0	113.4	Y32 D33 I38 I39 C40	Y32-E36 WeakPolarHBondContact CA-OE1 3.34Å; Y32-E36 VanDerWaalsContact CB-OE1 3.24Å; Y32-E36 WeakPolarHBondContact CB-OE1 3.44Å; Y32-E36 WeakPolarHBondContact CD2-OE1 3.39Å; Y32-E36 PolarHBondContact N-OE1 2.83Å; D33-E36 PolarHBondContact N-OE1 3Å; D33-E36 WeakPolarHBondContact O-CB 3.17Å; D33-E36 WeakPolarHBondContact O-CG 3.42Å; D33-E36 PolarHBondContact O-N 3.36Å; E36-I38 HydrophobicContact CB-CG2 4.34Å; E36-I38 PolarHBondContact O-N 2.73Å; E36-I39 PolarHBondContact O-N 2.87Å; E36-C40 PolarHBondContact O-N 2.84Å; E36-C40 PolarHBondContact O-SG 3.21Å
37	E	93.8	Very high	94.8	Very high	130 Å²	130	40.1 Å²	40.1	61%	0.607	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.5	-34.2	-179.1	-174.2	170.8	-166.7	0	0	112.8	I39 C40 N41	E37-I39 VanDerWaalsContact C-N 3.33Å; E37-I39 PolarHBondContact O-N 2.95Å; E37-C40 CarbonylContact O-C 3.33Å; E37-C40 PolarHBondContact O-N 3.04Å; E37-N41 WeakPolarHBondContact O-CB 3.48Å; E37-N41 PolarHBondContact O-N 2.91Å; E37-N41 PolarHBondContact O-ND2 2.98Å; E37-N41 VanDerWaalsContact O-ND2 3.16Å; E37-N41 PolarHBondContact O-OD1 3.26Å
38	I	94.5	Very high	95.2	Very high	41 Å²	41	36.2 Å²	36.2	21%	0.21	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-20.7	179.4	-158.3	172.1	0	0	0	114.1	L29 V31 E36 N41 V43 A44	L29-I38 HydrophobicContact CD1-CD1 3.97Å; L29-I38 HydrophobicContact CD2-CD1 3.84Å; L29-I38 HydrophobicContact CG-CD1 4.34Å; V31-I38 HydrophobicContact CG2-CG2 3.93Å; E36-I38 HydrophobicContact CB-CG2 4.34Å; E36-I38 PolarHBondContact O-N 2.73Å; I38-N41 VanDerWaalsContact C-OD1 3.31Å; I38-N41 WeakPolarHBondContact CA-OD1 3.44Å; I38-N41 PolarHBondContact O-OD1 2.86Å; I38-V43 HydrophobicContact CD1-CG1 4.44Å; I38-V43 HydrophobicContact CG1-CB 3.99Å; I38-V43 HydrophobicContact CG1-CG1 4.07Å; I38-V43 PolarHBondContact O-N 2.93Å; I38-A44 HydrophobicContact CG1-CB 4.22Å; I38-A44 HydrophobicContact CG2-CB 4.24Å; I38-A44 VanDerWaalsContact O-CB 3.27Å; I38-A44 WeakPolarHBondContact O-CB 3.32Å; I38-A44 PolarHBondContact O-N 2.85Å
39	I	96.3	Very high	95.4	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-50.8	168.3	-71.7	178.2	0	0	0	109.1	L18 V31 L34 E36 E37 N41 G42 A44 I45 V104	L18-I39 HydrophobicContact CD2-CD1 3.76Å; L18-I39 HydrophobicContact CD2-CG1 4.41Å; V31-I39 HydrophobicContact CB-CD1 4.36Å; V31-I39 HydrophobicContact CG1-CD1 3.5Å; V31-I39 HydrophobicContact CG1-CG1 4.36Å; V31-I39 HydrophobicContact CG2-CD1 4.01Å; V31-I39 HydrophobicContact CG2-CG1 4.08Å; L34-I39 HydrophobicContact CD2-CD1 3.98Å; E36-I39 PolarHBondContact O-N 2.87Å; E37-I39 VanDerWaalsContact C-N 3.33Å; E37-I39 PolarHBondContact O-N 2.95Å; I39-N41 PolarHBondContact O-N 3.37Å; I39-G42 PolarHBondContact O-N 3.26Å; I39-A44 HydrophobicContact CG1-CB 3.94Å; I39-I45 HydrophobicContact CG2-CD1 4.1Å; I39-I45 HydrophobicContact CG2-CG1 4.34Å; I39-V104 HydrophobicContact CG2-CG1 3.7Å; I39-V104 HydrophobicContact CG2-CG2 4.35Å
40	C	96.5	Very high	95.4	Very high	5 Å²	5	33.6 Å²	33.6	3%	0.034	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	0.3	-177	-54.7	0	0	0	0	113.7	T35 E36 E37 R70 I96 G99	T35-C40 PolarHBondContact O-SG 2.79Å; E36-C40 PolarHBondContact O-N 2.84Å; E36-C40 PolarHBondContact O-SG 3.21Å; E37-C40 CarbonylContact O-C 3.33Å; E37-C40 PolarHBondContact O-N 3.04Å; C40-R70 PolarHBondContact O-NE 3.12Å; C40-R70 PolarHBondContact O-NH2 3.33Å; C40-I96 WeakPolarHBondContact CA-O 3.12Å; C40-G99 WeakPolarHBondContact SG-CA 3.4Å
41	N	96	Very high	95.4	Very high	13 Å²	13	32.2 Å²	32.2	7%	0.07	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.5	9.3	169.9	74.6	9.3	0	0	0	113.5	E37 I38 I39 V43 P64 R70 N73	E37-N41 WeakPolarHBondContact O-CB 3.48Å; E37-N41 PolarHBondContact O-N 2.91Å; E37-N41 PolarHBondContact O-ND2 2.98Å; E37-N41 VanDerWaalsContact O-ND2 3.16Å; E37-N41 PolarHBondContact O-OD1 3.26Å; I38-N41 VanDerWaalsContact C-OD1 3.31Å; I38-N41 WeakPolarHBondContact CA-OD1 3.44Å; I38-N41 PolarHBondContact O-OD1 2.86Å; I39-N41 PolarHBondContact O-N 3.37Å; N41-V43 PolarHBondContact O-N 3.2Å; N41-V43 VanDerWaalsContact OD1-CB 3.26Å; N41-V43 WeakPolarHBondContact OD1-CB 3.4Å; N41-V43 VanDerWaalsContact OD1-CG2 3.22Å; N41-V43 WeakPolarHBondContact OD1-CG2 3.37Å; N41-V43 PolarHBondContact OD1-N 3.35Å; N41-P64 HydrophobicContact CB-CG 3.55Å; N41-P64 WeakPolarHBondContact ND2-CG 3.34Å; N41-R70 HydrophobicContact CB-CB 4.18Å; N41-R70 HydrophobicContact CB-CG 3.73Å; N41-N73 WeakPolarHBondContact O-CB 3.22Å; N41-N73 PolarHBondContact O-ND2 3.06Å
42	G	96.9	Very high	95.3	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.165	C	C	.	.	S	Bend	trans	73.9	-7	178.6	0	0	0	0	0	116.1	I39 I45 G46	I39-G42 PolarHBondContact O-N 3.26Å; G42-I45 PolarHBondContact O-N 2.93Å; G42-G46 PolarHBondContact O-N 3.44Å
43	V	96.8	Very high	95	Very high	7 Å²	7	27.4 Å²	27.4	4%	0.042	15%	0.148	C	C	.	.	H	α-helix	trans	-64.8	-50.9	-174.5	173.7	0	0	0	0	111.7	L29 I38 N41 I45 G46 V47 L61 P64	L29-V43 HydrophobicContact CD1-CG1 4.44Å; I38-V43 HydrophobicContact CD1-CG1 4.44Å; I38-V43 HydrophobicContact CG1-CB 3.99Å; I38-V43 HydrophobicContact CG1-CG1 4.07Å; I38-V43 PolarHBondContact O-N 2.93Å; N41-V43 PolarHBondContact O-N 3.2Å; N41-V43 VanDerWaalsContact OD1-CB 3.26Å; N41-V43 WeakPolarHBondContact OD1-CB 3.4Å; N41-V43 VanDerWaalsContact OD1-CG2 3.22Å; N41-V43 WeakPolarHBondContact OD1-CG2 3.37Å; N41-V43 PolarHBondContact OD1-N 3.35Å; V43-I45 VanDerWaalsContact C-N 3.33Å; V43-I45 PolarHBondContact O-N 3.46Å; V43-G46 PolarHBondContact O-N 2.86Å; V43-V47 HydrophobicContact CG1-CG2 4.47Å; V43-V47 WeakPolarHBondContact O-CB 3.47Å; V43-V47 WeakPolarHBondContact O-CG2 3.45Å; V43-V47 PolarHBondContact O-N 3.05Å; V43-L61 VanDerWaalsContact CG2-O 3.29Å; V43-L61 WeakPolarHBondContact CG2-O 3.07Å; V43-P64 HydrophobicContact CG2-CG 4Å
44	A	96.9	Very high	94.8	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-63.5	-39.3	179.5	0	0	0	0	0	111.9	L22 V31 I38 I39 L48	L22-A44 HydrophobicContact CD1-CB 4.02Å; V31-A44 HydrophobicContact CG2-CB 4.4Å; I38-A44 HydrophobicContact CG1-CB 4.22Å; I38-A44 HydrophobicContact CG2-CB 4.24Å; I38-A44 VanDerWaalsContact O-CB 3.27Å; I38-A44 WeakPolarHBondContact O-CB 3.32Å; I38-A44 PolarHBondContact O-N 2.85Å; I39-A44 HydrophobicContact CG1-CB 3.94Å; A44-L48 VanDerWaalsContact O-CB 3.24Å; A44-L48 WeakPolarHBondContact O-CB 2.91Å; A44-L48 PolarHBondContact O-N 3.46Å
45	I	96.8	Very high	94.6	Very high	2 Å²	2	30 Å²	30	1%	0.01	18%	0.177	C	C	.	.	H	α-helix	trans	-70.1	-39.5	178.7	-49.9	170.7	0	0	0	110.4	I39 G42 V43 L48 L49 V77 I96 L107 I111	I39-I45 HydrophobicContact CG2-CD1 4.1Å; I39-I45 HydrophobicContact CG2-CG1 4.34Å; G42-I45 PolarHBondContact O-N 2.93Å; V43-I45 VanDerWaalsContact C-N 3.33Å; V43-I45 PolarHBondContact O-N 3.46Å; I45-L48 WeakPolarHBondContact O-CB 3.23Å; I45-L48 PolarHBondContact O-N 3.49Å; I45-L49 WeakPolarHBondContact O-CG 3.4Å; I45-L49 PolarHBondContact O-N 3.49Å; I45-L49 VanDerWaalsContact O-N 3.09Å; I45-V77 HydrophobicContact CB-CG1 4.36Å; I45-V77 HydrophobicContact CB-CG2 4.44Å; I45-V77 HydrophobicContact CG2-CG1 3.61Å; I45-V77 HydrophobicContact CG2-CG2 4.43Å; I45-I96 HydrophobicContact CD1-CG2 4.12Å; I45-L107 HydrophobicContact CD1-CD2 3.94Å; I45-I111 HydrophobicContact CG2-CD1 3.72Å
46	G	96.6	Very high	94.5	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-62.4	-53	175.5	0	0	0	0	0	111.9	G42 V43 L48 L49 E50	G42-G46 PolarHBondContact O-N 3.44Å; V43-G46 PolarHBondContact O-N 2.86Å; G46-L48 VanDerWaalsContact C-N 3.28Å; G46-L48 PolarHBondContact O-N 3.04Å; G46-L49 WeakPolarHBondContact O-CB 3.24Å; G46-L49 PolarHBondContact O-N 3.35Å; G46-E50 WeakPolarHBondContact O-CG 3.32Å; G46-E50 PolarHBondContact O-N 3.15Å
47	V	95.7	Very high	94.4	Very high	15 Å²	15	31.3 Å²	31.3	9%	0.091	18%	0.177	C	C	.	.	H	α-helix	trans	-59.7	-37.2	176.5	172.1	0	0	0	0	111.9	L22 A25 L29 V43 L49 E50 I51 L60	L22-V47 HydrophobicContact CD2-CB 4.3Å; L22-V47 HydrophobicContact CD2-CG1 4Å; A25-V47 HydrophobicContact CB-CG1 3.69Å; L29-V47 HydrophobicContact CD1-CB 4.26Å; L29-V47 HydrophobicContact CD1-CG1 4.17Å; L29-V47 HydrophobicContact CD1-CG2 4.14Å; V43-V47 HydrophobicContact CG1-CG2 4.47Å; V43-V47 WeakPolarHBondContact O-CB 3.47Å; V43-V47 WeakPolarHBondContact O-CG2 3.45Å; V43-V47 PolarHBondContact O-N 3.05Å; V47-L49 PolarHBondContact O-N 3.14Å; V47-E50 PolarHBondContact O-N 3.46Å; V47-I51 HydrophobicContact CG1-CD1 3.76Å; V47-I51 HydrophobicContact CG1-CG1 4.47Å; V47-I51 VanDerWaalsContact O-CG1 3.28Å; V47-I51 WeakPolarHBondContact O-CG1 3.24Å; V47-I51 PolarHBondContact O-N 3.42Å; V47-L60 HydrophobicContact CG2-CD2 4.37Å
48	L	96.4	Very high	94.1	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-56.7	-49.1	171.9	173	71.1	0	0	0	111.2	W17 L18 H21 L22 A44 I45 G46 E50 I51 I52 L108 I111	W17-L48 HydrophobicContact CH2-CD1 4.33Å; W17-L48 HydrophobicContact CH2-CD2 3.86Å; W17-L48 HydrophobicContact CZ3-CD2 3.96Å; L18-L48 HydrophobicContact CD1-CB 4.23Å; L18-L48 HydrophobicContact CD1-CD1 4.09Å; L18-L48 HydrophobicContact CD1-CD2 3.86Å; L18-L48 HydrophobicContact CD1-CG 4.28Å; H21-L48 HydrophobicContact CB-CD1 3.67Å; L22-L48 HydrophobicContact CD2-CB 4.45Å; A44-L48 VanDerWaalsContact O-CB 3.24Å; A44-L48 WeakPolarHBondContact O-CB 2.91Å; A44-L48 PolarHBondContact O-N 3.46Å; I45-L48 WeakPolarHBondContact O-CB 3.23Å; I45-L48 PolarHBondContact O-N 3.49Å; G46-L48 VanDerWaalsContact C-N 3.28Å; G46-L48 PolarHBondContact O-N 3.04Å; L48-E50 PolarHBondContact O-N 3.09Å; L48-I51 PolarHBondContact O-N 2.93Å; L48-I51 VanDerWaalsContact O-N 3.15Å; L48-I52 HydrophobicContact CD1-CD1 4.11Å; L48-I52 HydrophobicContact CD1-CG2 3.78Å; L48-I52 HydrophobicContact CD2-CD1 4.41Å; L48-I52 HydrophobicContact CG-CD1 3.93Å; L48-I52 WeakPolarHBondContact O-CG1 3.05Å; L48-I52 PolarHBondContact O-N 2.71Å; L48-L108 HydrophobicContact CD2-CD2 4.2Å; L48-I111 HydrophobicContact CD2-CG2 4.17Å
49	L	95.6	Very high	93.8	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-64.9	-36	179.3	-67.9	177.9	0	0	0	113	I45 G46 V47 I51 G53 I57 V77 V80 L81 I111 F115	I45-L49 WeakPolarHBondContact O-CG 3.4Å; I45-L49 PolarHBondContact O-N 3.49Å; I45-L49 VanDerWaalsContact O-N 3.09Å; G46-L49 WeakPolarHBondContact O-CB 3.24Å; G46-L49 PolarHBondContact O-N 3.35Å; V47-L49 PolarHBondContact O-N 3.14Å; L49-I51 VanDerWaalsContact C-N 3.29Å; L49-I51 PolarHBondContact O-N 3.34Å; L49-G53 WeakPolarHBondContact O-CA 3.27Å; L49-G53 PolarHBondContact O-N 2.67Å; L49-I57 HydrophobicContact CB-CD1 4.24Å; L49-I57 HydrophobicContact CD1-CD1 4.19Å; L49-V77 HydrophobicContact CD1-CG1 3.99Å; L49-V80 HydrophobicContact CD1-CG1 4.43Å; L49-L81 HydrophobicContact CD1-CD2 4.07Å; L49-L81 HydrophobicContact CD1-CG 4.12Å; L49-L81 HydrophobicContact CD2-CD2 3.95Å; L49-I111 HydrophobicContact CD2-CD1 4.47Å; L49-I111 HydrophobicContact CD2-CG2 3.97Å; L49-F115 HydrophobicContact CD2-CE2 3.57Å; L49-F115 HydrophobicContact CD2-CZ 4.09Å
50	E	94.5	Very high	93.7	Very high	71 Å²	71	31.8 Å²	31.8	33%	0.332	19%	0.193	S	C	.	.	H	α-helix	trans	-61.6	-39.5	172.4	-55.5	-153.9	132.3	0	0	111.2	G46 V47 L48 G54 I55 K56 I57	G46-E50 WeakPolarHBondContact O-CG 3.32Å; G46-E50 PolarHBondContact O-N 3.15Å; V47-E50 PolarHBondContact O-N 3.46Å; L48-E50 PolarHBondContact O-N 3.09Å; E50-G54 VanDerWaalsContact O-CA 3.22Å; E50-G54 WeakPolarHBondContact O-CA 3.28Å; E50-G54 PolarHBondContact O-N 2.86Å; E50-G54 VanDerWaalsContact O-N 3.14Å; E50-I55 WeakPolarHBondContact CA-O 3.31Å; E50-I55 WeakPolarHBondContact CG-O 3.49Å; E50-K56 WeakPolarHBondContact OE1-CA 3.46Å; E50-I57 HydrophobicContact CG-CG1 4.28Å; E50-I57 PolarHBondContact OE1-N 2.97Å
51	I	93.8	Very high	93.6	Very high	55 Å²	55	34.4 Å²	34.4	28%	0.282	21%	0.207	S	C	.	.	H	α-helix	trans	-76.4	-47.9	-178.5	-68.1	168.8	0	0	0	112.9	H21 K24 A25 V47 L48 L49	H21-I51 HydrophobicContact CB-CG2 4.34Å; H21-I51 WeakPolarHBondContact O-CD1 3.38Å; K24-I51 HydrophobicContact CD-CG2 4.33Å; A25-I51 HydrophobicContact CB-CD1 3.88Å; V47-I51 HydrophobicContact CG1-CD1 3.76Å; V47-I51 HydrophobicContact CG1-CG1 4.47Å; V47-I51 VanDerWaalsContact O-CG1 3.28Å; V47-I51 WeakPolarHBondContact O-CG1 3.24Å; V47-I51 PolarHBondContact O-N 3.42Å; L48-I51 PolarHBondContact O-N 2.93Å; L48-I51 VanDerWaalsContact O-N 3.15Å; L49-I51 VanDerWaalsContact C-N 3.29Å; L49-I51 PolarHBondContact O-N 3.34Å
52	I	93.2	Very high	93.5	Very high	39 Å²	39	38.9 Å²	38.9	20%	0.2	23%	0.23	C	C	.	.	H	α-helix	trans	-85.8	-30.7	-173.9	71.8	-175.4	0	0	0	113.1	H21 L48 I111 F115	H21-I52 HydrophobicContact CB-CG2 4.32Å; H21-I52 WeakPolarHBondContact CD2-CG2 3.34Å; L48-I52 HydrophobicContact CD1-CD1 4.11Å; L48-I52 HydrophobicContact CD1-CG2 3.78Å; L48-I52 HydrophobicContact CD2-CD1 4.41Å; L48-I52 HydrophobicContact CG-CD1 3.93Å; L48-I52 WeakPolarHBondContact O-CG1 3.05Å; L48-I52 PolarHBondContact O-N 2.71Å; I52-I111 HydrophobicContact CD1-CG2 3.6Å; I52-F115 HydrophobicContact CB-CG 4.49Å; I52-F115 HydrophobicContact CD1-CB 4.05Å; I52-F115 HydrophobicContact CD1-CD2 3.33Å; I52-F115 HydrophobicContact CD1-CE2 3.87Å; I52-F115 HydrophobicContact CD1-CG 3.73Å; I52-F115 HydrophobicContact CG1-CB 4.34Å; I52-F115 HydrophobicContact CG1-CD1 4.14Å; I52-F115 HydrophobicContact CG1-CD2 3.72Å; I52-F115 HydrophobicContact CG1-CE1 4.4Å; I52-F115 HydrophobicContact CG1-CE2 3.99Å; I52-F115 HydrophobicContact CG1-CG 3.8Å; I52-F115 HydrophobicContact CG1-CZ 4.32Å
53	G	88.5	Confident	93.2	Very high	30 Å²	30	44.3 Å²	44.3	31%	0.309	26%	0.256	S	S	.	.	H	α-helix	trans	-94.8	-20.8	178.7	0	0	0	0	0	114	L49 I55 F115	L49-G53 WeakPolarHBondContact O-CA 3.27Å; L49-G53 PolarHBondContact O-N 2.67Å; G53-I55 PolarHBondContact O-N 3.23Å; G53-F115 VanDerWaalsContact CA-CE1 3.44Å
54	G	90.5	Very high	93.1	Very high	69 Å²	69	44.4 Å²	44.4	71%	0.711	26%	0.256	S	S	*	.			trans	65.9	21.9	-165.6	0	0	0	0	0	112.6	E50	E50-G54 VanDerWaalsContact O-CA 3.22Å; E50-G54 WeakPolarHBondContact O-CA 3.28Å; E50-G54 PolarHBondContact O-N 2.86Å; E50-G54 VanDerWaalsContact O-N 3.14Å
55	I	90	Very high	92.8	Very high	29 Å²	29	51.2 Å²	51.2	15%	0.149	29%	0.291	C	S	.	.			trans	-104.5	109.1	-172.9	-59.9	161.3	0	0	0	108.5	E50 G53 V80 L84 F115	E50-I55 WeakPolarHBondContact CA-O 3.31Å; E50-I55 WeakPolarHBondContact CG-O 3.49Å; G53-I55 PolarHBondContact O-N 3.23Å; I55-V80 HydrophobicContact CD1-CG1 4.37Å; I55-V80 HydrophobicContact CG2-CG1 3.87Å; I55-L84 HydrophobicContact CD1-CD1 3.63Å; I55-L84 HydrophobicContact CD1-CD2 3.75Å; I55-L84 HydrophobicContact CD1-CG 4.14Å; I55-F115 HydrophobicContact CD1-CZ 4.47Å
56	K	90.8	Very high	92.7	Very high	143 Å²	143	54 Å²	54	62%	0.622	31%	0.309	S	S	*	.			trans	-64.1	135.3	172	-171	176.2	176.8	-116	0	110.7	E50 D58	E50-K56 WeakPolarHBondContact OE1-CA 3.46Å; K56-D58 IonicContact NZ-OD1 3.15Å; K56-D58 PolarHBondContact NZ-OD1 3.24Å
57	I	93.1	Very high	92.6	Very high	8 Å²	8	58.1 Å²	58.1	4%	0.041	33%	0.334	C	S	.	.			trans	-100.4	96.6	174.2	-53	-167.9	0	0	0	108.8	L49 E50 G59 L60 E76 V77 V80	L49-I57 HydrophobicContact CB-CD1 4.24Å; L49-I57 HydrophobicContact CD1-CD1 4.19Å; E50-I57 HydrophobicContact CG-CG1 4.28Å; E50-I57 PolarHBondContact OE1-N 2.97Å; I57-G59 PolarHBondContact O-N 2.75Å; I57-L60 HydrophobicContact CB-CB 4.03Å; I57-L60 HydrophobicContact CG2-CB 4.01Å; I57-L60 PolarHBondContact O-N 3.24Å; I57-E76 HydrophobicContact CG2-CB 3.7Å; I57-V77 HydrophobicContact CD1-CG2 4.05Å; I57-V80 HydrophobicContact CG1-CG2 4.26Å
58	D	87	Confident	92.6	Very high	116 Å²	116	60 Å²	60	62%	0.62	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	116.6	175.6	-67.2	-46.1	0	0	0	110	K56	K56-D58 IonicContact NZ-OD1 3.15Å; K56-D58 PolarHBondContact NZ-OD1 3.24Å
59	G	88.6	Confident	92.6	Very high	41 Å²	41	62.7 Å²	62.7	42%	0.423	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	108.7	-11	-176.4	0	0	0	0	0	115.1	I57 L61	I57-G59 PolarHBondContact O-N 2.75Å; G59-L61 PolarHBondContact O-N 3.01Å
60	L	94.2	Very high	92.7	Very high	24 Å²	24	65.1 Å²	65.1	13%	0.126	37%	0.367	C	S	.	.			trans	-60	111.7	-179.4	-172.3	70.1	0	0	0	112.1	V47 I57 L62 N73	V47-L60 HydrophobicContact CG2-CD2 4.37Å; I57-L60 HydrophobicContact CB-CB 4.03Å; I57-L60 HydrophobicContact CG2-CB 4.01Å; I57-L60 PolarHBondContact O-N 3.24Å; L60-L62 PolarHBondContact O-N 3.39Å; L60-N73 HydrophobicContact CD1-CB 4.21Å
61	L	94.2	Very high	92.8	Very high	60 Å²	60	63.5 Å²	63.5	31%	0.314	36%	0.36	S	S	.	.			trans	-81.9	114.5	178.3	-56.2	175.8	0	0	0	109.1	V43 G59 Q63 P64 E69 N73	V43-L61 VanDerWaalsContact CG2-O 3.29Å; V43-L61 WeakPolarHBondContact CG2-O 3.07Å; G59-L61 PolarHBondContact O-N 3.01Å; L61-Q63 PolarHBondContact O-N 2.91Å; L61-P64 HydrophobicContact CB-CB 4.47Å; L61-P64 WeakPolarHBondContact O-CD 3.46Å; L61-E69 HydrophobicContact CD1-CB 3.56Å; L61-E69 HydrophobicContact CD1-CG 3.6Å; L61-N73 WeakPolarHBondContact CB-OD1 3.4Å; L61-N73 PolarHBondContact N-OD1 3.46Å; L61-N73 PolarHBondContact O-ND2 3.28Å
62	L	92.9	Very high	93	Very high	108 Å²	108	64.1 Å²	64.1	57%	0.565	36%	0.362	S	S	*	.	S	Bend	trans	-71.8	-15.7	-179.4	-61.5	179.5	0	0	0	114.2	L60	L60-L62 PolarHBondContact O-N 3.39Å
63	Q	92.2	Very high	93.2	Very high	114 Å²	114	62.2 Å²	62.2	53%	0.533	35%	0.352	S	S	.	.	S	Bend	trans	-138.1	71.2	177.5	-73	173.7	64.4	0	0	109.7	L61 I65	L61-Q63 PolarHBondContact O-N 2.91Å; Q63-I65 PolarHBondContact O-N 3.28Å
64	P	92.7	Very high	93.6	Very high	8 Å²	8	60.9 Å²	60.9	5%	0.052	34%	0.338	C	S	.	.			trans	-73.7	120.7	175.4	32.8	-33.3	0	0	0	109	N41 V43 L61 E69 R70	N41-P64 HydrophobicContact CB-CG 3.55Å; N41-P64 WeakPolarHBondContact ND2-CG 3.34Å; V43-P64 HydrophobicContact CG2-CG 4Å; L61-P64 HydrophobicContact CB-CB 4.47Å; L61-P64 WeakPolarHBondContact O-CD 3.46Å; P64-E69 HydrophobicContact CB-CB 3.64Å; P64-R70 HydrophobicContact CB-CG 4.07Å; P64-R70 HydrophobicContact CG-CG 4.31Å
65	I	92.2	Very high	93.9	Very high	144 Å²	144	61 Å²	61	74%	0.738	32%	0.32	S	S	*	.			trans	-100.8	-38.8	-175.4	-61	174	0	0	0	110.4	Q63 E69	Q63-I65 PolarHBondContact O-N 3.28Å; I65-E69 WeakPolarHBondContact CA-OE2 3.49Å; I65-E69 PolarHBondContact N-OE2 3.02Å
66	T	93.9	Very high	94.2	Very high	61 Å²	61	62.3 Å²	62.3	37%	0.374	33%	0.325	S	S	.	.	S	Bend	trans	-93.9	155.3	-177.8	72	0	0	0	0	111.8	V68 E69 R70	T66-V68 PolarHBondContact O-N 2.87Å; T66-V68 VanDerWaalsContact O-N 3.12Å; T66-V68 PolarHBondContact OG1-N 3.45Å; T66-E69 PolarHBondContact N-OE2 3.32Å; T66-E69 PolarHBondContact O-N 3.46Å; T66-E69 VanDerWaalsContact O-N 3.11Å; T66-E69 VanDerWaalsContact OG1-CG 3.3Å; T66-E69 WeakPolarHBondContact OG1-CG 3.35Å; T66-E69 PolarHBondContact OG1-N 2.91Å; T66-E69 PolarHBondContact OG1-OE2 2.98Å; T66-E69 VanDerWaalsContact OG1-OE2 3.13Å; T66-R70 WeakPolarHBondContact O-CG 3.49Å; T66-R70 PolarHBondContact O-N 2.86Å
67	T	95.6	Very high	94.5	Very high	85 Å²	85	55.5 Å²	55.5	52%	0.521	30%	0.295	S	S	.	.	H	α-helix	trans	-54.9	-29	171.6	-44.4	0	0	0	0	112.6	L71 M97	T67-L71 VanDerWaalsContact O-CB 3.29Å; T67-L71 WeakPolarHBondContact O-CB 3.41Å; T67-L71 PolarHBondContact O-N 3.44Å; T67-M97 HydrophobicContact CG2-CE 3.61Å; T67-M97 HydrophobicContact CG2-SD 3.52Å; T67-M97 VanDerWaalsContact CG2-SD 3.52Å
68	V	95.6	Very high	94.7	Very high	54 Å²	54	55.1 Å²	55.1	33%	0.327	29%	0.294	S	S	.	.	H	α-helix	trans	-69.6	-47.9	176.3	179.7	0	0	0	0	111.1	T66 R70 L71 H72	T66-V68 PolarHBondContact O-N 2.87Å; T66-V68 VanDerWaalsContact O-N 3.12Å; T66-V68 PolarHBondContact OG1-N 3.45Å; V68-R70 VanDerWaalsContact C-N 3.33Å; V68-R70 PolarHBondContact O-N 3.23Å; V68-L71 PolarHBondContact O-N 2.92Å; V68-H72 VanDerWaalsContact O-CB 3.26Å; V68-H72 WeakPolarHBondContact O-CB 3.42Å; V68-H72 PolarHBondContact O-N 3.33Å
69	E	96.1	Very high	95.1	Very high	57 Å²	57	52.5 Å²	52.5	27%	0.266	28%	0.284	S	S	.	.	H	α-helix	trans	-64.3	-39.6	178.6	-67.4	167.1	138.5	0	0	111.4	L61 P64 I65 T66 H72 N73	L61-E69 HydrophobicContact CD1-CB 3.56Å; L61-E69 HydrophobicContact CD1-CG 3.6Å; P64-E69 HydrophobicContact CB-CB 3.64Å; I65-E69 WeakPolarHBondContact CA-OE2 3.49Å; I65-E69 PolarHBondContact N-OE2 3.02Å; T66-E69 PolarHBondContact N-OE2 3.32Å; T66-E69 PolarHBondContact O-N 3.46Å; T66-E69 VanDerWaalsContact O-N 3.11Å; T66-E69 VanDerWaalsContact OG1-CG 3.3Å; T66-E69 WeakPolarHBondContact OG1-CG 3.35Å; T66-E69 PolarHBondContact OG1-N 2.91Å; T66-E69 PolarHBondContact OG1-OE2 2.98Å; T66-E69 VanDerWaalsContact OG1-OE2 3.13Å; E69-H72 PolarHBondContact O-N 2.82Å; E69-N73 PolarHBondContact O-N 2.92Å
70	R	96.9	Very high	95.4	Very high	52 Å²	52	50.9 Å²	50.9	20%	0.196	27%	0.266	C	S	.	.	H	α-helix	trans	-60.5	-48.5	174.1	-66.5	-177.7	57.6	-149.8	-8.9	111.5	C40 N41 P64 T66 V68 I74 M97	C40-R70 PolarHBondContact O-NE 3.12Å; C40-R70 PolarHBondContact O-NH2 3.33Å; N41-R70 HydrophobicContact CB-CB 4.18Å; N41-R70 HydrophobicContact CB-CG 3.73Å; P64-R70 HydrophobicContact CB-CG 4.07Å; P64-R70 HydrophobicContact CG-CG 4.31Å; T66-R70 WeakPolarHBondContact O-CG 3.49Å; T66-R70 PolarHBondContact O-N 2.86Å; V68-R70 VanDerWaalsContact C-N 3.33Å; V68-R70 PolarHBondContact O-N 3.23Å; R70-I74 WeakPolarHBondContact O-CG1 3.41Å; R70-I74 PolarHBondContact O-N 3.43Å; R70-M97 HydrophobicContact CB-CG 4.37Å; R70-M97 HydrophobicContact CB-SD 4.26Å; R70-M97 PolarHBondContact NH2-O 3.43Å
71	L	97.3	Very high	95.4	Very high	36 Å²	36	49.8 Å²	49.8	19%	0.188	26%	0.26	C	S	.	.	H	α-helix	trans	-69.2	-36.5	179.4	-168.1	61.9	0	0	0	112.1	T67 V68 I74 H75 P93 E94 M97	T67-L71 VanDerWaalsContact O-CB 3.29Å; T67-L71 WeakPolarHBondContact O-CB 3.41Å; T67-L71 PolarHBondContact O-N 3.44Å; V68-L71 PolarHBondContact O-N 2.92Å; L71-I74 PolarHBondContact O-N 3.4Å; L71-H75 PolarHBondContact O-CD2 3.01Å; L71-H75 VanDerWaalsContact O-CD2 3.29Å; L71-H75 PolarHBondContact O-N 2.98Å; L71-P93 HydrophobicContact CD1-CB 3.84Å; L71-E94 HydrophobicContact CD1-CG 4.37Å; L71-M97 HydrophobicContact CB-SD 3.78Å; L71-M97 HydrophobicContact CD1-CE 4.34Å; L71-M97 HydrophobicContact CD1-SD 4.11Å; L71-M97 HydrophobicContact CG-SD 4.43Å
72	H	96.8	Very high	95.5	Very high	68 Å²	68	53.6 Å²	53.6	32%	0.315	27%	0.27	S	S	.	.	H	α-helix	trans	-59.1	-49.5	174.6	171	50	0	0	0	111.7	V68 E69 I74 H75 E76	V68-H72 VanDerWaalsContact O-CB 3.26Å; V68-H72 WeakPolarHBondContact O-CB 3.42Å; V68-H72 PolarHBondContact O-N 3.33Å; E69-H72 PolarHBondContact O-N 2.82Å; H72-I74 VanDerWaalsContact C-N 3.29Å; H72-I74 PolarHBondContact O-N 3.34Å; H72-H75 WeakPolarHBondContact O-CB 3.5Å; H72-H75 PolarHBondContact O-N 3.48Å; H72-H75 VanDerWaalsContact O-N 3.08Å; H72-E76 IonicContact CE1-OE1 2.86Å; H72-E76 PolarHBondContact CE1-OE1 2.98Å; H72-E76 VanDerWaalsContact CE1-OE1 3.25Å; H72-E76 IonicContact ND1-OE1 2.65Å; H72-E76 PolarHBondContact O-N 2.95Å
73	N	97.5	Very high	95.5	Very high	0 Å²	0	56 Å²	56	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-54.5	-44.5	174.7	-82.3	-1.6	0	0	0	112.5	N41 L60 L61 E69 E76 V77	N41-N73 WeakPolarHBondContact O-CB 3.22Å; N41-N73 PolarHBondContact O-ND2 3.06Å; L60-N73 HydrophobicContact CD1-CB 4.21Å; L61-N73 WeakPolarHBondContact CB-OD1 3.4Å; L61-N73 PolarHBondContact N-OD1 3.46Å; L61-N73 PolarHBondContact O-ND2 3.28Å; E69-N73 PolarHBondContact O-N 2.92Å; N73-E76 PolarHBondContact O-N 2.89Å; N73-V77 WeakPolarHBondContact O-CG2 3.5Å; N73-V77 PolarHBondContact O-N 3.47Å
74	I	97.4	Very high	95.6	Very high	1 Å²	1	51.8 Å²	51.8	1%	0.005	25%	0.253	C	S	.	.	H	α-helix	trans	-66.5	-39.5	178.3	-61	163.8	0	0	0	110.4	R70 L71 H72 E76 V77 F78 P93 I96 M97	R70-I74 WeakPolarHBondContact O-CG1 3.41Å; R70-I74 PolarHBondContact O-N 3.43Å; L71-I74 PolarHBondContact O-N 3.4Å; H72-I74 VanDerWaalsContact C-N 3.29Å; H72-I74 PolarHBondContact O-N 3.34Å; I74-E76 PolarHBondContact O-N 3.22Å; I74-V77 WeakPolarHBondContact O-CB 3.42Å; I74-V77 PolarHBondContact O-N 2.94Å; I74-F78 HydrophobicContact CG2-CD2 3.82Å; I74-F78 HydrophobicContact CG2-CE2 3.57Å; I74-F78 HydrophobicContact CG2-CZ 4.34Å; I74-F78 WeakPolarHBondContact O-CB 3.26Å; I74-F78 WeakPolarHBondContact O-CD2 3.36Å; I74-F78 PolarHBondContact O-N 3.4Å; I74-P93 HydrophobicContact CG2-CB 3.8Å; I74-I96 HydrophobicContact CD1-CB 4.36Å; I74-I96 HydrophobicContact CD1-CG2 4.02Å; I74-I96 HydrophobicContact CG1-CG2 4.28Å; I74-I96 HydrophobicContact CG2-CB 4.22Å; I74-I96 HydrophobicContact CG2-CG2 4.21Å; I74-M97 HydrophobicContact CD1-CB 3.65Å; I74-M97 HydrophobicContact CD1-CG 4.19Å
75	H	97	Very high	95.6	Very high	73 Å²	73	58 Å²	58	34%	0.338	29%	0.286	S	S	.	.	H	α-helix	trans	-62.8	-38.9	173.4	-75.1	-48	0	0	0	113.3	L71 H72 F78 S79	L71-H75 PolarHBondContact O-CD2 3.01Å; L71-H75 VanDerWaalsContact O-CD2 3.29Å; L71-H75 PolarHBondContact O-N 2.98Å; H72-H75 WeakPolarHBondContact O-CB 3.5Å; H72-H75 PolarHBondContact O-N 3.48Å; H72-H75 VanDerWaalsContact O-N 3.08Å; H75-F78 CarbonylContact O-C 3.6Å; H75-F78 PolarHBondContact O-N 3.02Å; H75-S79 WeakPolarHBondContact O-CB 3.37Å; H75-S79 PolarHBondContact O-N 3.37Å
76	E	97	Very high	95.6	Very high	55 Å²	55	51.7 Å²	51.7	26%	0.257	25%	0.254	S	S	.	.	H	α-helix	trans	-67	-41.9	175.8	-66.9	-48.7	141.1	0	0	112	I57 H72 N73 I74 F78 S79 V80	I57-E76 HydrophobicContact CG2-CB 3.7Å; H72-E76 IonicContact CE1-OE1 2.86Å; H72-E76 PolarHBondContact CE1-OE1 2.98Å; H72-E76 VanDerWaalsContact CE1-OE1 3.25Å; H72-E76 IonicContact ND1-OE1 2.65Å; H72-E76 PolarHBondContact O-N 2.95Å; N73-E76 PolarHBondContact O-N 2.89Å; I74-E76 PolarHBondContact O-N 3.22Å; E76-F78 VanDerWaalsContact C-N 3.33Å; E76-F78 PolarHBondContact O-N 2.98Å; E76-S79 WeakPolarHBondContact O-CB 3.26Å; E76-S79 PolarHBondContact O-N 3.34Å; E76-V80 WeakPolarHBondContact O-CG2 3.29Å; E76-V80 PolarHBondContact O-N 3.2Å
77	V	97	Very high	95.6	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-54.6	-49.5	169.3	165	0	0	0	0	110.6	I45 L49 I57 N73 I74 S79 V80 L81	I45-V77 HydrophobicContact CB-CG1 4.36Å; I45-V77 HydrophobicContact CB-CG2 4.44Å; I45-V77 HydrophobicContact CG2-CG1 3.61Å; I45-V77 HydrophobicContact CG2-CG2 4.43Å; L49-V77 HydrophobicContact CD1-CG1 3.99Å; I57-V77 HydrophobicContact CD1-CG2 4.05Å; N73-V77 WeakPolarHBondContact O-CG2 3.5Å; N73-V77 PolarHBondContact O-N 3.47Å; I74-V77 WeakPolarHBondContact O-CB 3.42Å; I74-V77 PolarHBondContact O-N 2.94Å; V77-S79 VanDerWaalsContact C-N 3.33Å; V77-S79 PolarHBondContact O-N 3.17Å; V77-V80 PolarHBondContact O-N 3.4Å; V77-L81 HydrophobicContact CG1-CD1 3.86Å; V77-L81 VanDerWaalsContact O-CG 3.26Å; V77-L81 WeakPolarHBondContact O-CG 3.22Å; V77-L81 PolarHBondContact O-N 3.49Å
78	F	96.7	Very high	95.4	Very high	1 Å²	1	53.7 Å²	53.7	0%	0.004	25%	0.25	C	S	.	.	H	α-helix	trans	-65.4	-34.9	178.8	-84.5	-131	0	0	0	112.5	I74 H75 E76 L81 R82 I88 I91 P93 I96 L107	I74-F78 HydrophobicContact CG2-CD2 3.82Å; I74-F78 HydrophobicContact CG2-CE2 3.57Å; I74-F78 HydrophobicContact CG2-CZ 4.34Å; I74-F78 WeakPolarHBondContact O-CB 3.26Å; I74-F78 WeakPolarHBondContact O-CD2 3.36Å; I74-F78 PolarHBondContact O-N 3.4Å; H75-F78 CarbonylContact O-C 3.6Å; H75-F78 PolarHBondContact O-N 3.02Å; E76-F78 VanDerWaalsContact C-N 3.33Å; E76-F78 PolarHBondContact O-N 2.98Å; F78-L81 PolarHBondContact O-N 2.56Å; F78-R82 WeakPolarHBondContact O-CB 3.26Å; F78-R82 WeakPolarHBondContact O-CG 3.38Å; F78-R82 PolarHBondContact O-N 2.97Å; F78-I88 HydrophobicContact CB-CD1 4.15Å; F78-I88 HydrophobicContact CD1-CD1 3.6Å; F78-I88 HydrophobicContact CE1-CD1 4.14Å; F78-I88 HydrophobicContact CG-CD1 3.85Å; F78-I91 HydrophobicContact CE1-CB 4.47Å; F78-I91 HydrophobicContact CE1-CG2 4.18Å; F78-I91 WeakPolarHBondContact CE1-O 3.25Å; F78-I91 HydrophobicContact CZ-CB 4.4Å; F78-I91 HydrophobicContact CZ-CG2 3.64Å; F78-P93 HydrophobicContact CD1-CG 3.76Å; F78-P93 HydrophobicContact CE1-CG 3.72Å; F78-P93 HydrophobicContact CG-CG 4.28Å; F78-P93 HydrophobicContact CZ-CG 4.21Å; F78-I96 HydrophobicContact CE2-CG1 4.25Å; F78-I96 HydrophobicContact CZ-CG1 4.1Å; F78-L107 HydrophobicContact CE2-CD1 4.48Å; F78-L107 HydrophobicContact CE2-CD2 3.96Å
79	S	94.6	Very high	94.8	Very high	60 Å²	60	58 Å²	58	42%	0.42	27%	0.272	S	S	.	.	H	α-helix	trans	-61.1	-47.8	175.6	-173.4	0	0	0	0	110.9	H75 E76 V77 R82 R83	H75-S79 WeakPolarHBondContact O-CB 3.37Å; H75-S79 PolarHBondContact O-N 3.37Å; E76-S79 WeakPolarHBondContact O-CB 3.26Å; E76-S79 PolarHBondContact O-N 3.34Å; V77-S79 VanDerWaalsContact C-N 3.33Å; V77-S79 PolarHBondContact O-N 3.17Å; S79-R82 PolarHBondContact O-N 3.46Å; S79-R83 WeakPolarHBondContact O-CB 3.42Å; S79-R83 PolarHBondContact O-N 3.47Å
80	V	95.3	Very high	94.4	Very high	8 Å²	8	59 Å²	59	5%	0.048	28%	0.279	C	S	.	.	H	α-helix	trans	-61.9	-47.7	174.4	173.8	0	0	0	0	111.3	L49 I55 I57 E76 V77 R82 R83 L84	L49-V80 HydrophobicContact CD1-CG1 4.43Å; I55-V80 HydrophobicContact CD1-CG1 4.37Å; I55-V80 HydrophobicContact CG2-CG1 3.87Å; I57-V80 HydrophobicContact CG1-CG2 4.26Å; E76-V80 WeakPolarHBondContact O-CG2 3.29Å; E76-V80 PolarHBondContact O-N 3.2Å; V77-V80 PolarHBondContact O-N 3.4Å; V80-R82 PolarHBondContact O-N 2.89Å; V80-R83 PolarHBondContact O-N 3.04Å; V80-R83 VanDerWaalsContact O-N 3.17Å; V80-L84 HydrophobicContact CG1-CD1 3.98Å; V80-L84 HydrophobicContact CG1-CG 4.41Å; V80-L84 WeakPolarHBondContact O-CG 3.49Å; V80-L84 PolarHBondContact O-N 3.44Å
81	L	95.5	Very high	94.3	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-62.1	-39	-179.9	-68.8	173.2	0	0	0	113.1	L49 V77 F78 L84 N85 V86 I88 L107 I111	L49-L81 HydrophobicContact CD1-CD2 4.07Å; L49-L81 HydrophobicContact CD1-CG 4.12Å; L49-L81 HydrophobicContact CD2-CD2 3.95Å; V77-L81 HydrophobicContact CG1-CD1 3.86Å; V77-L81 VanDerWaalsContact O-CG 3.26Å; V77-L81 WeakPolarHBondContact O-CG 3.22Å; V77-L81 PolarHBondContact O-N 3.49Å; F78-L81 PolarHBondContact O-N 2.56Å; L81-L84 PolarHBondContact O-N 2.82Å; L81-N85 PolarHBondContact O-N 3.37Å; L81-V86 HydrophobicContact CB-CB 4.19Å; L81-V86 HydrophobicContact CB-CG2 4.39Å; L81-V86 HydrophobicContact CD2-CB 4.15Å; L81-V86 HydrophobicContact CD2-CG1 4.35Å; L81-V86 HydrophobicContact CD2-CG2 3.77Å; L81-V86 PolarHBondContact O-N 3.05Å; L81-I88 HydrophobicContact CB-CD1 3.93Å; L81-I88 HydrophobicContact CD1-CD1 4.44Å; L81-I88 HydrophobicContact CD1-CG2 4.33Å; L81-L107 HydrophobicContact CD1-CD1 3.77Å; L81-I111 HydrophobicContact CD1-CD1 4.17Å; L81-I111 HydrophobicContact CD1-CG1 4.18Å; L81-I111 HydrophobicContact CD2-CD1 4.42Å; L81-I111 HydrophobicContact CD2-CG1 3.84Å
82	R	94.7	Very high	94.2	Very high	140 Å²	140	59.5 Å²	59.5	53%	0.528	28%	0.283	S	S	.	.	H	α-helix	trans	-65	-43.2	173.1	-72.4	167.7	-173	159	0.3	111.7	F78 S79 V80 L84 N85 I88	F78-R82 WeakPolarHBondContact O-CB 3.26Å; F78-R82 WeakPolarHBondContact O-CG 3.38Å; F78-R82 PolarHBondContact O-N 2.97Å; S79-R82 PolarHBondContact O-N 3.46Å; V80-R82 PolarHBondContact O-N 2.89Å; R82-L84 PolarHBondContact O-N 2.87Å; R82-N85 PolarHBondContact O-N 3.05Å; R82-I88 HydrophobicContact CG-CD1 4.14Å
83	R	93.8	Very high	94.2	Very high	158 Å²	158	56.5 Å²	56.5	60%	0.596	27%	0.269	S	S	*	.	H	α-helix	trans	-63.9	-26.6	176.2	-178.1	168.8	60.1	83.7	-5.3	113	S79 V80	S79-R83 WeakPolarHBondContact O-CB 3.42Å; S79-R83 PolarHBondContact O-N 3.47Å; V80-R83 PolarHBondContact O-N 3.04Å; V80-R83 VanDerWaalsContact O-N 3.17Å
84	L	93.3	Very high	94.1	Very high	26 Å²	26	60.6 Å²	60.6	14%	0.136	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-4.8	172.4	-69.8	175.9	0	0	0	114	I55 V80 L81 R82 V86 Y114 F115	I55-L84 HydrophobicContact CD1-CD1 3.63Å; I55-L84 HydrophobicContact CD1-CD2 3.75Å; I55-L84 HydrophobicContact CD1-CG 4.14Å; V80-L84 HydrophobicContact CG1-CD1 3.98Å; V80-L84 HydrophobicContact CG1-CG 4.41Å; V80-L84 WeakPolarHBondContact O-CG 3.49Å; V80-L84 PolarHBondContact O-N 3.44Å; L81-L84 PolarHBondContact O-N 2.82Å; R82-L84 PolarHBondContact O-N 2.87Å; L84-V86 VanDerWaalsContact C-N 3.32Å; L84-V86 HydrophobicContact CB-CG2 3.94Å; L84-V86 PolarHBondContact O-N 3.22Å; L84-Y114 HydrophobicContact CB-CE1 4.11Å; L84-Y114 HydrophobicContact CB-CE2 4.38Å; L84-Y114 HydrophobicContact CD1-CE1 4.1Å; L84-Y114 HydrophobicContact CD2-CE1 4.31Å; L84-Y114 HydrophobicContact CG-CE1 4.41Å; L84-Y114 WeakPolarHBondContact O-CE2 3.44Å; L84-Y114 VanDerWaalsContact O-CZ 3.27Å; L84-Y114 PolarHBondContact O-OH 3.49Å; L84-F115 HydrophobicContact CD1-CE2 4.46Å; L84-F115 HydrophobicContact CD1-CZ 3.77Å
85	N	93	Very high	94.1	Very high	140 Å²	140	63.3 Å²	63.3	75%	0.749	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.9	31.3	-172.7	-57.6	102.8	0	0	0	114.7	L81 R82	L81-N85 PolarHBondContact O-N 3.37Å; R82-N85 PolarHBondContact O-N 3.05Å
86	V	93.9	Very high	94.1	Very high	10 Å²	10	59.9 Å²	59.9	6%	0.061	29%	0.287	C	S	.	.			trans	-68.8	138	170.8	-172.6	0	0	0	0	109.8	L81 L84 I88 A110 Y114	L81-V86 HydrophobicContact CB-CB 4.19Å; L81-V86 HydrophobicContact CB-CG2 4.39Å; L81-V86 HydrophobicContact CD2-CB 4.15Å; L81-V86 HydrophobicContact CD2-CG1 4.35Å; L81-V86 HydrophobicContact CD2-CG2 3.77Å; L81-V86 PolarHBondContact O-N 3.05Å; L84-V86 VanDerWaalsContact C-N 3.32Å; L84-V86 HydrophobicContact CB-CG2 3.94Å; L84-V86 PolarHBondContact O-N 3.22Å; V86-I88 HydrophobicContact CB-CG2 4.42Å; V86-I88 HydrophobicContact CG1-CG2 3.99Å; V86-I88 PolarHBondContact O-N 2.58Å; V86-A110 HydrophobicContact CG1-CB 4.14Å; V86-A110 WeakPolarHBondContact CG1-O 3.35Å; V86-Y114 HydrophobicContact CG2-CD1 4.09Å; V86-Y114 HydrophobicContact CG2-CD2 3.72Å; V86-Y114 HydrophobicContact CG2-CE1 4.49Å; V86-Y114 HydrophobicContact CG2-CE2 4.13Å; V86-Y114 HydrophobicContact CG2-CG 3.68Å
87	K	91.9	Very high	94.1	Very high	182 Å²	182	58.3 Å²	58.3	79%	0.791	28%	0.28	S	S	*	.			trans	-80.5	76.9	-174.2	-65.8	-175.9	179.4	-178.1	0	112.4
88	I	92.7	Very high	94	Very high	6 Å²	6	66.3 Å²	66.3	3%	0.031	32%	0.317	C	S	.	.			trans	-103.5	17.8	-179.7	65.4	172.5	0	0	0	114.3	F78 L81 R82 V86 N90 I91 L107	F78-I88 HydrophobicContact CB-CD1 4.15Å; F78-I88 HydrophobicContact CD1-CD1 3.6Å; F78-I88 HydrophobicContact CE1-CD1 4.14Å; F78-I88 HydrophobicContact CG-CD1 3.85Å; L81-I88 HydrophobicContact CB-CD1 3.93Å; L81-I88 HydrophobicContact CD1-CD1 4.44Å; L81-I88 HydrophobicContact CD1-CG2 4.33Å; R82-I88 HydrophobicContact CG-CD1 4.14Å; V86-I88 HydrophobicContact CB-CG2 4.42Å; V86-I88 HydrophobicContact CG1-CG2 3.99Å; V86-I88 PolarHBondContact O-N 2.58Å; I88-N90 PolarHBondContact O-N 3.22Å; I88-I91 HydrophobicContact CB-CD1 4.28Å; I88-I91 HydrophobicContact CG2-CD1 4.36Å; I88-I91 PolarHBondContact O-N 3.38Å; I88-I91 VanDerWaalsContact O-N 3.12Å; I88-L107 HydrophobicContact CG2-CD1 3.94Å
89	N	82.8	Confident	93.8	Very high	146 Å²	146	66.8 Å²	66.8	78%	0.781	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-12.5	-168.9	-62.8	0.3	0	0	0	115.8
90	N	88.2	Confident	93.8	Very high	76 Å²	76	67.2 Å²	67.2	41%	0.406	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.5	-11.1	-179.8	-68.2	-18.6	0	0	0	113.7	I88 R324	I88-N90 PolarHBondContact O-N 3.22Å; N90-R324 PolarHBondContact OD1-NH1 2.84Å; N90-R324 PolarHBondContact OD1-NH2 2.99Å
91	I	94.6	Very high	93.7	Very high	5 Å²	5	69.9 Å²	69.9	3%	0.026	33%	0.331	C	S	.	.			trans	-102.2	126.9	-166.3	-54.5	177.4	0	0	0	107.5	F78 I88 I96 T103 E106 L107	F78-I91 HydrophobicContact CE1-CB 4.47Å; F78-I91 HydrophobicContact CE1-CG2 4.18Å; F78-I91 WeakPolarHBondContact CE1-O 3.25Å; F78-I91 HydrophobicContact CZ-CB 4.4Å; F78-I91 HydrophobicContact CZ-CG2 3.64Å; I88-I91 HydrophobicContact CB-CD1 4.28Å; I88-I91 HydrophobicContact CG2-CD1 4.36Å; I88-I91 PolarHBondContact O-N 3.38Å; I88-I91 VanDerWaalsContact O-N 3.12Å; I91-I96 HydrophobicContact CG2-CD1 3.99Å; I91-I96 HydrophobicContact CG2-CG1 4.03Å; I91-T103 HydrophobicContact CB-CG2 4.28Å; I91-T103 HydrophobicContact CG2-CG2 3.52Å; I91-E106 HydrophobicContact CD1-CB 4.31Å; I91-E106 HydrophobicContact CD1-CG 4.14Å; I91-E106 HydrophobicContact CG1-CG 4.44Å; I91-L107 HydrophobicContact CD1-CB 3.95Å; I91-L107 HydrophobicContact CD1-CD1 4.08Å; I91-L107 HydrophobicContact CG2-CB 4.49Å
92	Q	95.1	Very high	93.6	Very high	95 Å²	95	75.3 Å²	75.3	44%	0.444	36%	0.36	S	S	.	.			trans	-95.2	145.1	170.4	-52.3	-54.1	-46.9	0	0	111.5	E94 D95	Q92-E94 PolarHBondContact O-N 3.19Å; Q92-D95 VanDerWaalsContact CB-OD2 3.24Å; Q92-D95 WeakPolarHBondContact CB-OD2 3.44Å; Q92-D95 PolarHBondContact N-OD2 3.01Å; Q92-D95 PolarHBondContact O-N 2.9Å
93	P	96.4	Very high	93.6	Very high	4 Å²	4	69.6 Å²	69.6	3%	0.026	34%	0.341	C	S	.	.	H	α-helix	trans	-55.1	-35.1	171.5	-28.5	37.7	0	0	0	113.8	L71 I74 F78 I96 M97	L71-P93 HydrophobicContact CD1-CB 3.84Å; I74-P93 HydrophobicContact CG2-CB 3.8Å; F78-P93 HydrophobicContact CD1-CG 3.76Å; F78-P93 HydrophobicContact CE1-CG 3.72Å; F78-P93 HydrophobicContact CG-CG 4.28Å; F78-P93 HydrophobicContact CZ-CG 4.21Å; P93-I96 PolarHBondContact O-N 3.12Å; P93-M97 PolarHBondContact O-N 2.78Å; P93-M97 VanDerWaalsContact O-N 3.09Å
94	E	96.4	Very high	93.7	Very high	87 Å²	87	62.1 Å²	62.1	41%	0.407	31%	0.313	S	S	.	.	H	α-helix	trans	-66.9	-39.9	-179.5	-68.8	73.7	-167.8	0	0	112.2	L71 Q92 I96 M97 E98	L71-E94 HydrophobicContact CD1-CG 4.37Å; Q92-E94 PolarHBondContact O-N 3.19Å; E94-I96 VanDerWaalsContact C-N 3.33Å; E94-I96 PolarHBondContact O-N 3Å; E94-M97 WeakPolarHBondContact O-CB 3.36Å; E94-M97 PolarHBondContact O-N 3.43Å; E94-M97 VanDerWaalsContact O-N 3.08Å; E94-E98 PolarHBondContact O-N 3.33Å
95	D	96.2	Very high	93.8	Very high	58 Å²	58	61.7 Å²	61.7	31%	0.31	31%	0.311	S	S	.	.	H	α-helix	trans	-63.8	-40.7	178.6	-54.7	-33.5	0	0	0	110.9	Q92 M97 E98 G99 D100 T103	Q92-D95 VanDerWaalsContact CB-OD2 3.24Å; Q92-D95 WeakPolarHBondContact CB-OD2 3.44Å; Q92-D95 PolarHBondContact N-OD2 3.01Å; Q92-D95 PolarHBondContact O-N 2.9Å; D95-M97 VanDerWaalsContact C-N 3.31Å; D95-M97 PolarHBondContact O-N 2.97Å; D95-E98 PolarHBondContact O-N 3.04Å; D95-G99 PolarHBondContact O-N 2.99Å; D95-G99 VanDerWaalsContact O-N 3.14Å; D95-D100 HydrophobicContact CB-CB 4.34Å; D95-D100 PolarHBondContact O-N 3.03Å; D95-T103 HydrophobicContact CB-CG2 3.74Å
96	I	97	Very high	93.8	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-63.8	-37.7	173	-57.6	-64.1	0	0	0	111.1	C40 I45 I74 F78 I91 P93 E94 G99 T103 V104 L107	C40-I96 WeakPolarHBondContact CA-O 3.12Å; I45-I96 HydrophobicContact CD1-CG2 4.12Å; I74-I96 HydrophobicContact CD1-CB 4.36Å; I74-I96 HydrophobicContact CD1-CG2 4.02Å; I74-I96 HydrophobicContact CG1-CG2 4.28Å; I74-I96 HydrophobicContact CG2-CB 4.22Å; I74-I96 HydrophobicContact CG2-CG2 4.21Å; F78-I96 HydrophobicContact CE2-CG1 4.25Å; F78-I96 HydrophobicContact CZ-CG1 4.1Å; I91-I96 HydrophobicContact CG2-CD1 3.99Å; I91-I96 HydrophobicContact CG2-CG1 4.03Å; P93-I96 PolarHBondContact O-N 3.12Å; E94-I96 VanDerWaalsContact C-N 3.33Å; E94-I96 PolarHBondContact O-N 3Å; I96-G99 PolarHBondContact O-N 3.22Å; I96-T103 HydrophobicContact CD1-CG2 3.89Å; I96-T103 HydrophobicContact CG1-CG2 4.46Å; I96-V104 HydrophobicContact CD1-CB 4.33Å; I96-V104 HydrophobicContact CD1-CG2 3.81Å; I96-V104 HydrophobicContact CG2-CG2 4.41Å; I96-L107 HydrophobicContact CD1-CB 4.06Å; I96-L107 HydrophobicContact CD1-CD2 3.65Å; I96-L107 HydrophobicContact CG1-CD2 3.98Å
97	M	96.2	Very high	93.9	Very high	23 Å²	23	58.5 Å²	58.5	11%	0.113	29%	0.29	C	S	.	.	H	α-helix	trans	-72.8	-36.1	179.7	-169.6	-176.2	58.8	0	0	112.7	T67 R70 L71 I74 P93 E94 D95 G99	T67-M97 HydrophobicContact CG2-CE 3.61Å; T67-M97 HydrophobicContact CG2-SD 3.52Å; T67-M97 VanDerWaalsContact CG2-SD 3.52Å; R70-M97 HydrophobicContact CB-CG 4.37Å; R70-M97 HydrophobicContact CB-SD 4.26Å; R70-M97 PolarHBondContact NH2-O 3.43Å; L71-M97 HydrophobicContact CB-SD 3.78Å; L71-M97 HydrophobicContact CD1-CE 4.34Å; L71-M97 HydrophobicContact CD1-SD 4.11Å; L71-M97 HydrophobicContact CG-SD 4.43Å; I74-M97 HydrophobicContact CD1-CB 3.65Å; I74-M97 HydrophobicContact CD1-CG 4.19Å; P93-M97 PolarHBondContact O-N 2.78Å; P93-M97 VanDerWaalsContact O-N 3.09Å; E94-M97 WeakPolarHBondContact O-CB 3.36Å; E94-M97 PolarHBondContact O-N 3.43Å; E94-M97 VanDerWaalsContact O-N 3.08Å; D95-M97 VanDerWaalsContact C-N 3.31Å; D95-M97 PolarHBondContact O-N 2.97Å; M97-G99 PolarHBondContact O-N 2.95Å
98	E	95.2	Very high	94.1	Very high	167 Å²	167	49.9 Å²	49.9	78%	0.78	25%	0.253	S	S	*	.	H	α-helix	trans	-71.8	-19	173.9	-162.2	60.8	-159.1	0	0	111.7	E94 D95	E94-E98 PolarHBondContact O-N 3.33Å; D95-E98 PolarHBondContact O-N 3.04Å
99	G	94.1	Very high	94.1	Very high	12 Å²	12	52.6 Å²	52.6	12%	0.124	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	85.5	34.1	-180	0	0	0	0	0	112.9	T35 C40 D95 I96 M97 K101	T35-G99 WeakPolarHBondContact CG2-O 3.44Å; C40-G99 WeakPolarHBondContact SG-CA 3.4Å; D95-G99 PolarHBondContact O-N 2.99Å; D95-G99 VanDerWaalsContact O-N 3.14Å; I96-G99 PolarHBondContact O-N 3.22Å; M97-G99 PolarHBondContact O-N 2.95Å; G99-K101 PolarHBondContact O-N 3.2Å
100	D	94.2	Very high	94.6	Very high	69 Å²	69	46.5 Å²	46.5	37%	0.369	24%	0.237	S	C	.	.			trans	-64.1	109.1	171.4	178.2	24.7	0	0	0	110.2	D95 D102 T103 V104	D95-D100 HydrophobicContact CB-CB 4.34Å; D95-D100 PolarHBondContact O-N 3.03Å; D100-D102 VanDerWaalsContact C-N 3.34Å; D100-D102 PolarHBondContact O-N 3.43Å; D100-T103 PolarHBondContact O-N 3.22Å; D100-T103 VanDerWaalsContact OD2-CB 3.25Å; D100-T103 WeakPolarHBondContact OD2-CB 3.13Å; D100-T103 PolarHBondContact OD2-OG1 2.78Å; D100-V104 WeakPolarHBondContact O-CG2 3.42Å; D100-V104 PolarHBondContact O-N 2.94Å
101	K	93.4	Very high	95	Very high	64 Å²	64	42.9 Å²	42.9	28%	0.278	22%	0.217	S	C	.	.	H	α-helix	trans	-64.1	-37	-167.8	-173.6	161.5	-179.2	156.2	0	112.8	E11 D33 L34 T35 G99 L105	E11-K101 WeakPolarHBondContact OE1-CE 3.18Å; E11-K101 IonicContact OE1-NZ 2.71Å; E11-K101 PolarHBondContact OE1-NZ 3.01Å; E11-K101 WeakPolarHBondContact OE2-CE 3.48Å; E11-K101 IonicContact OE2-NZ 2.67Å; E11-K101 PolarHBondContact OE2-NZ 3.43Å; D33-K101 IonicContact OD1-NZ 2.8Å; D33-K101 PolarHBondContact OD1-NZ 3.29Å; L34-K101 HydrophobicContact CB-CG 4.39Å; T35-K101 HydrophobicContact CG2-CB 4.04Å; T35-K101 HydrophobicContact CG2-CD 4.16Å; T35-K101 HydrophobicContact CG2-CG 4.36Å; G99-K101 PolarHBondContact O-N 3.2Å; K101-L105 VanDerWaalsContact O-CB 3.31Å; K101-L105 WeakPolarHBondContact O-CB 3.22Å; K101-L105 PolarHBondContact O-N 3.34Å
102	D	92.3	Very high	94.9	Very high	114 Å²	114	43.6 Å²	43.6	61%	0.61	22%	0.221	S	C	*	.	H	α-helix	trans	-71.2	-41.7	177.9	-72	-31.7	0	0	0	110.8	D100 L105 E106	D100-D102 VanDerWaalsContact C-N 3.34Å; D100-D102 PolarHBondContact O-N 3.43Å; D102-L105 PolarHBondContact O-N 3.26Å; D102-E106 PolarHBondContact O-N 2.92Å
103	T	94.6	Very high	94.7	Very high	19 Å²	19	42.8 Å²	42.8	12%	0.117	22%	0.22	C	C	.	.	H	α-helix	trans	-68.8	-36.8	176.8	-61.4	0	0	0	0	112.5	I91 D95 I96 D100 E106 L107	I91-T103 HydrophobicContact CB-CG2 4.28Å; I91-T103 HydrophobicContact CG2-CG2 3.52Å; D95-T103 HydrophobicContact CB-CG2 3.74Å; I96-T103 HydrophobicContact CD1-CG2 3.89Å; I96-T103 HydrophobicContact CG1-CG2 4.46Å; D100-T103 PolarHBondContact O-N 3.22Å; D100-T103 VanDerWaalsContact OD2-CB 3.25Å; D100-T103 WeakPolarHBondContact OD2-CB 3.13Å; D100-T103 PolarHBondContact OD2-OG1 2.78Å; T103-E106 PolarHBondContact O-N 3.22Å; T103-L107 PolarHBondContact O-N 3.2Å
104	V	96	Very high	94.5	Very high	1 Å²	1	47.4 Å²	47.4	1%	0.006	24%	0.238	C	C	.	.	H	α-helix	trans	-62.6	-43.2	170.3	170.4	0	0	0	0	111.2	L34 I39 I96 D100 L107 L108	L34-V104 HydrophobicContact CB-CG1 3.98Å; L34-V104 HydrophobicContact CD1-CG1 4.36Å; L34-V104 HydrophobicContact CD2-CG1 4.4Å; L34-V104 HydrophobicContact CG-CG1 4.48Å; I39-V104 HydrophobicContact CG2-CG1 3.7Å; I39-V104 HydrophobicContact CG2-CG2 4.35Å; I96-V104 HydrophobicContact CD1-CB 4.33Å; I96-V104 HydrophobicContact CD1-CG2 3.81Å; I96-V104 HydrophobicContact CG2-CG2 4.41Å; D100-V104 WeakPolarHBondContact O-CG2 3.42Å; D100-V104 PolarHBondContact O-N 2.94Å; V104-L107 PolarHBondContact O-N 2.71Å; V104-L108 HydrophobicContact CG1-CD1 4.32Å; V104-L108 WeakPolarHBondContact O-CG 3.44Å; V104-L108 PolarHBondContact O-N 3.14Å
105	L	94.6	Very high	94.2	Very high	18 Å²	18	45.5 Å²	45.5	9%	0.094	23%	0.228	C	C	.	.	H	α-helix	trans	-65.5	-42.5	177.3	-176.9	60.7	0	0	0	111.7	Y14 L34 K101 D102 L107 L108 I109	Y14-L105 HydrophobicContact CD2-CD1 3.54Å; Y14-L105 HydrophobicContact CE2-CD1 4.3Å; Y14-L105 HydrophobicContact CG-CD1 3.92Å; L34-L105 HydrophobicContact CD1-CB 4.04Å; L34-L105 HydrophobicContact CD1-CD1 4.06Å; K101-L105 VanDerWaalsContact O-CB 3.31Å; K101-L105 WeakPolarHBondContact O-CB 3.22Å; K101-L105 PolarHBondContact O-N 3.34Å; D102-L105 PolarHBondContact O-N 3.26Å; L105-L107 VanDerWaalsContact C-N 3.29Å; L105-L107 PolarHBondContact O-N 3.05Å; L105-L108 PolarHBondContact O-N 2.74Å; L105-I109 HydrophobicContact CD1-CD1 4.36Å; L105-I109 HydrophobicContact CD1-CG1 4.49Å; L105-I109 HydrophobicContact CG-CD1 3.97Å; L105-I109 WeakPolarHBondContact O-CB 3.39Å; L105-I109 WeakPolarHBondContact O-CD1 3.24Å; L105-I109 WeakPolarHBondContact O-CG1 3.37Å; L105-I109 PolarHBondContact O-N 2.68Å
106	E	94	Very high	93.5	Very high	81 Å²	81	47 Å²	47	38%	0.379	24%	0.236	S	C	.	.	H	α-helix	trans	-58.7	-40.6	173.9	-167.4	179.4	169.6	0	0	111.3	I91 D102 T103 I109 A110	I91-E106 HydrophobicContact CD1-CB 4.31Å; I91-E106 HydrophobicContact CD1-CG 4.14Å; I91-E106 HydrophobicContact CG1-CG 4.44Å; D102-E106 PolarHBondContact O-N 2.92Å; T103-E106 PolarHBondContact O-N 3.22Å; E106-I109 PolarHBondContact O-N 3.14Å; E106-A110 WeakPolarHBondContact O-CB 3.42Å; E106-A110 PolarHBondContact O-N 3.48Å
107	L	96.4	Very high	92.1	Very high	1 Å²	1	52.8 Å²	52.8	1%	0.005	27%	0.273	C	S	.	.	H	α-helix	trans	-63.9	-46.8	176.3	-176.4	59.1	0	0	0	112.3	I45 F78 L81 I88 I91 I96 T103 V104 L105 A110 I111	I45-L107 HydrophobicContact CD1-CD2 3.94Å; F78-L107 HydrophobicContact CE2-CD1 4.48Å; F78-L107 HydrophobicContact CE2-CD2 3.96Å; L81-L107 HydrophobicContact CD1-CD1 3.77Å; I88-L107 HydrophobicContact CG2-CD1 3.94Å; I91-L107 HydrophobicContact CD1-CB 3.95Å; I91-L107 HydrophobicContact CD1-CD1 4.08Å; I91-L107 HydrophobicContact CG2-CB 4.49Å; I96-L107 HydrophobicContact CD1-CB 4.06Å; I96-L107 HydrophobicContact CD1-CD2 3.65Å; I96-L107 HydrophobicContact CG1-CD2 3.98Å; T103-L107 PolarHBondContact O-N 3.2Å; V104-L107 PolarHBondContact O-N 2.71Å; L105-L107 VanDerWaalsContact C-N 3.29Å; L105-L107 PolarHBondContact O-N 3.05Å; L107-A110 PolarHBondContact O-N 3.42Å; L107-I111 HydrophobicContact CD1-CD1 4.24Å; L107-I111 HydrophobicContact CD1-CG1 4.49Å; L107-I111 HydrophobicContact CG-CD1 4.07Å; L107-I111 VanDerWaalsContact O-CG1 3.28Å; L107-I111 WeakPolarHBondContact O-CG1 3.09Å; L107-I111 PolarHBondContact O-N 3.16Å
108	L	95.3	Very high	90.2	Very high	1 Å²	1	59.2 Å²	59.2	1%	0.005	30%	0.301	C	S	.	.	H	α-helix	trans	-65.1	-38.3	177.8	-67.6	177.1	0	0	0	112.1	Y14 W17 L34 L48 V104 L105 I111 N112	Y14-L108 HydrophobicContact CD1-CB 4.28Å; W17-L108 HydrophobicContact CZ3-CD2 4.31Å; L34-L108 HydrophobicContact CD1-CD1 4.43Å; L34-L108 HydrophobicContact CD2-CD1 3.57Å; L48-L108 HydrophobicContact CD2-CD2 4.2Å; V104-L108 HydrophobicContact CG1-CD1 4.32Å; V104-L108 WeakPolarHBondContact O-CG 3.44Å; V104-L108 PolarHBondContact O-N 3.14Å; L105-L108 PolarHBondContact O-N 2.74Å; L108-I111 PolarHBondContact O-N 3.44Å; L108-N112 VanDerWaalsContact O-CB 3.31Å; L108-N112 WeakPolarHBondContact O-CB 3.42Å; L108-N112 PolarHBondContact O-N 3.34Å
109	I	93.3	Very high	88	Confident	63 Å²	63	58.6 Å²	58.6	32%	0.323	30%	0.297	S	S	.	.	H	α-helix	trans	-58.3	-51.8	171.2	-68.7	160.8	0	0	0	109.7	Y14 L105 E106 I111 N112 D113	Y14-I109 HydrophobicContact CD2-CG1 4.35Å; Y14-I109 HydrophobicContact CE1-CG1 4.16Å; Y14-I109 HydrophobicContact CE2-CD1 4.35Å; Y14-I109 HydrophobicContact CE2-CG1 3.58Å; Y14-I109 VanDerWaalsContact CZ-CG1 3.49Å; L105-I109 HydrophobicContact CD1-CD1 4.36Å; L105-I109 HydrophobicContact CD1-CG1 4.49Å; L105-I109 HydrophobicContact CG-CD1 3.97Å; L105-I109 WeakPolarHBondContact O-CB 3.39Å; L105-I109 WeakPolarHBondContact O-CD1 3.24Å; L105-I109 WeakPolarHBondContact O-CG1 3.37Å; L105-I109 PolarHBondContact O-N 2.68Å; E106-I109 PolarHBondContact O-N 3.14Å; I109-I111 VanDerWaalsContact C-N 3.32Å; I109-I111 PolarHBondContact O-N 2.87Å; I109-N112 PolarHBondContact O-N 3.46Å; I109-D113 WeakPolarHBondContact O-CB 3.45Å; I109-D113 PolarHBondContact O-N 2.96Å
110	A	94.1	Very high	85.1	Confident	18 Å²	18	64.4 Å²	64.4	15%	0.149	33%	0.325	C	S	.	.	H	α-helix	trans	-62	-36.2	-177.6	0	0	0	0	0	113.3	V86 E106 L107 Y114	V86-A110 HydrophobicContact CG1-CB 4.14Å; V86-A110 WeakPolarHBondContact CG1-O 3.35Å; E106-A110 WeakPolarHBondContact O-CB 3.42Å; E106-A110 PolarHBondContact O-N 3.48Å; L107-A110 PolarHBondContact O-N 3.42Å; A110-Y114 PolarHBondContact O-N 3.08Å
111	I	95	Very high	82.4	Confident	0 Å²	0	68.7 Å²	68.7	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-66.4	-51.4	173.2	-68.4	169.9	0	0	0	110.2	W17 I45 L48 L49 I52 L81 L107 L108 I109 D113 Y114 F115	W17-I111 HydrophobicContact CH2-CG2 4.21Å; I45-I111 HydrophobicContact CG2-CD1 3.72Å; L48-I111 HydrophobicContact CD2-CG2 4.17Å; L49-I111 HydrophobicContact CD2-CD1 4.47Å; L49-I111 HydrophobicContact CD2-CG2 3.97Å; I52-I111 HydrophobicContact CD1-CG2 3.6Å; L81-I111 HydrophobicContact CD1-CD1 4.17Å; L81-I111 HydrophobicContact CD1-CG1 4.18Å; L81-I111 HydrophobicContact CD2-CD1 4.42Å; L81-I111 HydrophobicContact CD2-CG1 3.84Å; L107-I111 HydrophobicContact CD1-CD1 4.24Å; L107-I111 HydrophobicContact CD1-CG1 4.49Å; L107-I111 HydrophobicContact CG-CD1 4.07Å; L107-I111 VanDerWaalsContact O-CG1 3.28Å; L107-I111 WeakPolarHBondContact O-CG1 3.09Å; L107-I111 PolarHBondContact O-N 3.16Å; L108-I111 PolarHBondContact O-N 3.44Å; I109-I111 VanDerWaalsContact C-N 3.32Å; I109-I111 PolarHBondContact O-N 2.87Å; I111-D113 VanDerWaalsContact C-N 3.34Å; I111-D113 PolarHBondContact O-N 2.95Å; I111-Y114 WeakPolarHBondContact O-CB 3.48Å; I111-Y114 PolarHBondContact O-N 3.09Å; I111-Y114 VanDerWaalsContact O-N 3.15Å; I111-F115 HydrophobicContact CG2-CD2 3.87Å; I111-F115 HydrophobicContact CG2-CE2 4.12Å; I111-F115 WeakPolarHBondContact O-CD2 3.34Å; I111-F115 PolarHBondContact O-N 3.32Å; I111-F115 VanDerWaalsContact O-N 3.12Å
112	N	92.6	Very high	79.5	Confident	20 Å²	20	74.3 Å²	74.3	11%	0.107	37%	0.37	C	S	.	.	H	α-helix	trans	-58.1	-45	179.2	178.4	71.6	0	0	0	111.9	Y14 W17 L108 I109 Y114 F115 L116	Y14-N112 HydrophobicContact CE1-CB 3.94Å; W17-N112 VanDerWaalsContact CE2-OD1 3.27Å; W17-N112 HydrophobicContact CH2-CB 3.84Å; W17-N112 HydrophobicContact CZ2-CB 3.67Å; W17-N112 WeakPolarHBondContact CZ2-OD1 3.25Å; W17-N112 HydrophobicContact CZ3-CB 4.47Å; W17-N112 PolarHBondContact NE1-OD1 3.3Å; W17-N112 VanDerWaalsContact NE1-OD1 3.1Å; L108-N112 VanDerWaalsContact O-CB 3.31Å; L108-N112 WeakPolarHBondContact O-CB 3.42Å; L108-N112 PolarHBondContact O-N 3.34Å; I109-N112 PolarHBondContact O-N 3.46Å; N112-Y114 PolarHBondContact O-N 3.46Å; N112-Y114 VanDerWaalsContact O-N 3.16Å; N112-F115 PolarHBondContact O-N 3.3Å; N112-L116 WeakPolarHBondContact O-CB 3.47Å; N112-L116 PolarHBondContact O-N 3.33Å; N112-L116 WeakPolarHBondContact OD1-CD1 3.46Å
113	D	90.8	Very high	76.8	Confident	79 Å²	79	74.6 Å²	74.6	42%	0.422	38%	0.376	S	S	.	.	H	α-helix	trans	-63.3	-19.2	179.3	-118.8	50	0	0	0	114.3	I109 I111 K118	I109-D113 WeakPolarHBondContact O-CB 3.45Å; I109-D113 PolarHBondContact O-N 2.96Å; I111-D113 VanDerWaalsContact C-N 3.34Å; I111-D113 PolarHBondContact O-N 2.95Å; D113-K118 WeakPolarHBondContact O-CE 3.45Å; D113-K118 WeakPolarHBondContact OD2-CE 3.5Å; D113-K118 IonicContact OD2-NZ 3.43Å; D113-K118 PolarHBondContact OD2-NZ 3.32Å
114	Y	92.6	Very high	74.2	Confident	101 Å²	101	79.8 Å²	79.8	40%	0.396	41%	0.41	S	S	.	.	H	α-helix	trans	-88.8	-45.8	175.8	-177.1	-93.9	0	0	0	112.3	L84 V86 A110 I111 N112	L84-Y114 HydrophobicContact CB-CE1 4.11Å; L84-Y114 HydrophobicContact CB-CE2 4.38Å; L84-Y114 HydrophobicContact CD1-CE1 4.1Å; L84-Y114 HydrophobicContact CD2-CE1 4.31Å; L84-Y114 HydrophobicContact CG-CE1 4.41Å; L84-Y114 WeakPolarHBondContact O-CE2 3.44Å; L84-Y114 VanDerWaalsContact O-CZ 3.27Å; L84-Y114 PolarHBondContact O-OH 3.49Å; V86-Y114 HydrophobicContact CG2-CD1 4.09Å; V86-Y114 HydrophobicContact CG2-CD2 3.72Å; V86-Y114 HydrophobicContact CG2-CE1 4.49Å; V86-Y114 HydrophobicContact CG2-CE2 4.13Å; V86-Y114 HydrophobicContact CG2-CG 3.68Å; A110-Y114 PolarHBondContact O-N 3.08Å; I111-Y114 WeakPolarHBondContact O-CB 3.48Å; I111-Y114 PolarHBondContact O-N 3.09Å; I111-Y114 VanDerWaalsContact O-N 3.15Å; N112-Y114 PolarHBondContact O-N 3.46Å; N112-Y114 VanDerWaalsContact O-N 3.16Å
115	F	89.5	Confident	71.6	Confident	47 Å²	47	88.2 Å²	88.2	21%	0.206	45%	0.446	C	S	.	.	H	α-helix	trans	-86.5	-23	-175.2	-71	-74.7	0	0	0	114.2	L49 I52 G53 I55 L84 I111 N112	L49-F115 HydrophobicContact CD2-CE2 3.57Å; L49-F115 HydrophobicContact CD2-CZ 4.09Å; I52-F115 HydrophobicContact CB-CG 4.49Å; I52-F115 HydrophobicContact CD1-CB 4.05Å; I52-F115 HydrophobicContact CD1-CD2 3.33Å; I52-F115 HydrophobicContact CD1-CE2 3.87Å; I52-F115 HydrophobicContact CD1-CG 3.73Å; I52-F115 HydrophobicContact CG1-CB 4.34Å; I52-F115 HydrophobicContact CG1-CD1 4.14Å; I52-F115 HydrophobicContact CG1-CD2 3.72Å; I52-F115 HydrophobicContact CG1-CE1 4.4Å; I52-F115 HydrophobicContact CG1-CE2 3.99Å; I52-F115 HydrophobicContact CG1-CG 3.8Å; I52-F115 HydrophobicContact CG1-CZ 4.32Å; G53-F115 VanDerWaalsContact CA-CE1 3.44Å; I55-F115 HydrophobicContact CD1-CZ 4.47Å; L84-F115 HydrophobicContact CD1-CE2 4.46Å; L84-F115 HydrophobicContact CD1-CZ 3.77Å; I111-F115 HydrophobicContact CG2-CD2 3.87Å; I111-F115 HydrophobicContact CG2-CE2 4.12Å; I111-F115 WeakPolarHBondContact O-CD2 3.34Å; I111-F115 PolarHBondContact O-N 3.32Å; I111-F115 VanDerWaalsContact O-N 3.12Å; N112-F115 PolarHBondContact O-N 3.3Å
116	L	82.3	Confident	68.7	Low	90 Å²	90	97.4 Å²	97.4	47%	0.471	49%	0.485	S	S	.	.	S	Bend	trans	-80.4	125.3	169.5	-99.6	60.9	0	0	0	110.6	N112 K118	N112-L116 WeakPolarHBondContact O-CB 3.47Å; N112-L116 PolarHBondContact O-N 3.33Å; N112-L116 WeakPolarHBondContact OD1-CD1 3.46Å; L116-K118 PolarHBondContact O-N 3.28Å
117	P	67	Low	66.1	Low	120 Å²	120	103 Å²	103	78%	0.779	51%	0.509	S	S	*	.			trans	-57.9	126	171.7	-23	33.4	0	0	0	110.3	H119	P117-H119 PolarHBondContact O-N 3.47Å
118	K	57	Low	63.1	Low	159 Å²	159	110.3 Å²	110.3	69%	0.691	55%	0.548	S	S	*	.			trans	-68.7	76.4	167.7	-65.4	-171.4	178.9	-166.3	0	109	D113 L116 N120	D113-K118 WeakPolarHBondContact O-CE 3.45Å; D113-K118 WeakPolarHBondContact OD2-CE 3.5Å; D113-K118 IonicContact OD2-NZ 3.43Å; D113-K118 PolarHBondContact OD2-NZ 3.32Å; L116-K118 PolarHBondContact O-N 3.28Å; K118-N120 PolarHBondContact O-N 3.03Å; K118-N120 VanDerWaalsContact O-N 3.14Å
119	H	49.3	Very low	60.2	Low	154 Å²	154	113.2 Å²	113.2	71%	0.713	57%	0.572	S	S	*	*			trans	-56.7	124.2	169.9	-159.2	-82.5	0	0	0	106.6	P117 M121	P117-H119 PolarHBondContact O-N 3.47Å; H119-M121 VanDerWaalsContact C-N 3.29Å; H119-M121 PolarHBondContact O-N 2.84Å
120	N	33.5	Very low	57.5	Low	133 Å²	133	117.7 Å²	117.7	71%	0.711	60%	0.597	S	S	*	*			trans	-71.4	88.8	-163	-161.2	-11.5	0	0	0	108.9	K118 K122	K118-N120 PolarHBondContact O-N 3.03Å; K118-N120 VanDerWaalsContact O-N 3.14Å; N120-K122 PolarHBondContact O-N 2.83Å
121	M	37.5	Very low	54.7	Low	160 Å²	160	124.1 Å²	124.1	79%	0.788	63%	0.628	S	S	*	*			trans	-67.9	77.9	177.9	-69.3	-61.2	177.8	0	0	108.3	H119 T123	H119-M121 VanDerWaalsContact C-N 3.29Å; H119-M121 PolarHBondContact O-N 2.84Å; M121-T123 PolarHBondContact O-N 3.06Å
122	K	32.7	Very low	52	Low	181 Å²	181	132.1 Å²	132.1	79%	0.787	67%	0.666	S	S	*	*			trans	-51.3	110.9	162.3	-73.2	179.1	179	174.3	0	106	N120	N120-K122 PolarHBondContact O-N 2.83Å
123	T	34.1	Very low	49.3	Very low	120 Å²	120	138.2 Å²	138.2	74%	0.736	70%	0.698	S	S	*	*			trans	-42.2	126.6	178.8	43.7	0	0	0	0	110	M121 K125	M121-T123 PolarHBondContact O-N 3.06Å; T123-K125 PolarHBondContact O-N 3.32Å
124	P	40.2	Very low	46.6	Very low	128 Å²	128	138.5 Å²	138.5	83%	0.831	71%	0.706	S	S	*	*			trans	-57.9	111.6	171.1	-22.2	33	0	0	0	107.5	K126	P124-K126 PolarHBondContact O-N 2.86Å
125	K	41.6	Very low	44	Very low	179 Å²	179	140.7 Å²	140.7	78%	0.778	73%	0.725	S	S	*	*			trans	-55.9	127.7	172.8	-83.1	-177	174.6	179.6	0	107.3	T123 F127	T123-K125 PolarHBondContact O-N 3.32Å; K125-F127 PolarHBondContact O-N 3.08Å
126	K	35	Very low	41.3	Very low	210 Å²	210	147.1 Å²	147.1	91%	0.913	75%	0.749	S	S	*	*			trans	-45.7	110.2	174.3	-63.7	177.7	178.4	-179	0	109.6	P124	P124-K126 PolarHBondContact O-N 2.86Å
127	F	38.3	Very low	39	Very low	200 Å²	200	151.3 Å²	151.3	88%	0.877	76%	0.76	S	S	*	*			trans	-106	132	158.1	-90.4	-80.6	0	0	0	108.5	K125	K125-F127 PolarHBondContact O-N 3.08Å
128	N	33.5	Very low	37.5	Very low	153 Å²	153	152.8 Å²	152.8	82%	0.818	76%	0.761	S	S	*	*			trans	-95.7	136.7	-163.3	-175.1	32.7	0	0	0	110.7
129	A	35	Very low	36.9	Very low	62 Å²	62	151.9 Å²	151.9	51%	0.512	76%	0.763	S	S	.	*			trans	59.1	128.4	150.7	0	0	0	0	0	120.7
130	N	36.9	Very low	36.4	Very low	158 Å²	158	151.7 Å²	151.7	85%	0.845	77%	0.767	S	S	*	*			trans	71	97.7	143.6	-50.8	-12	0	0	0	118.9
131	N	34.8	Very low	36.6	Very low	152 Å²	152	155.5 Å²	155.5	81%	0.813	77%	0.773	S	S	*	*				-160.8	161.3	97.2	-142.6	-22.1	0	0	0	112.3
132	H	38.2	Very low	36.5	Very low	169 Å²	169	155.7 Å²	155.7	78%	0.782	77%	0.769	S	S	*	*			trans	-76.9	148.1	-176.5	-56.3	-94.4	0	0	0	112.6
133	N	35.8	Very low	36.6	Very low	147 Å²	147	154 Å²	154	79%	0.786	77%	0.766	S	S	*	*				158.4	133.2	91.1	-159.6	11.1	0	0	0	113.9
134	S	34.2	Very low	36.5	Very low	85 Å²	85	157.6 Å²	157.6	59%	0.594	77%	0.774	S	S	*	*			trans	62.8	140.5	150.1	-103.7	0	0	0	0	124.3
135	N	36.9	Very low	36.4	Very low	148 Å²	148	156.6 Å²	156.6	79%	0.791	77%	0.77	S	S	*	*			trans	69.6	111	158.3	-50	-28.2	0	0	0	116.5
136	Y	34.1	Very low	36.1	Very low	181 Å²	181	155.9 Å²	155.9	71%	0.71	78%	0.775	S	S	*	*			cis	91.6	117.2	39.9	-157.8	-136.5	0	0	0	113.6
137	Y	34	Very low	36.1	Very low	179 Å²	179	149.3 Å²	149.3	70%	0.702	77%	0.767	S	S	*	*			trans	86.7	150.4	175.3	-58.4	-55.7	0	0	0	121.5
138	D	35.3	Very low	35.9	Very low	150 Å²	150	150.8 Å²	150.8	80%	0.802	77%	0.767	S	S	*	*			trans	59.2	119.1	173.9	-71	-32	0	0	0	121.4
139	I	44.3	Very low	36.1	Very low	141 Å²	141	149 Å²	149	72%	0.723	77%	0.766	S	S	*	*			trans	-130.9	87.5	157.8	-56.4	-178.5	0	0	0	107.4	Y141	I139-Y141 HydrophobicContact CG2-CD2 3.49Å; I139-Y141 VanDerWaalsContact CG2-CD2 3.49Å; I139-Y141 HydrophobicContact CG2-CE2 3.24Å; I139-Y141 HydrophobicContact CG2-CG 4.29Å
140	D	39.3	Very low	36.1	Very low	150 Å²	150	151.1 Å²	151.1	80%	0.802	78%	0.777	S	S	*	*			trans	-95.4	100.6	173.4	-162.9	11	0	0	0	108.3	K142	D140-K142 PolarHBondContact O-N 3.49Å
141	Y	36.3	Very low	36	Very low	213 Å²	213	147.8 Å²	147.8	84%	0.835	77%	0.771	S	S	*	*			trans	-86.4	102.2	-178	-88.4	-61.7	0	0	0	111.3	I139	I139-Y141 HydrophobicContact CG2-CD2 3.49Å; I139-Y141 VanDerWaalsContact CG2-CD2 3.49Å; I139-Y141 HydrophobicContact CG2-CE2 3.24Å; I139-Y141 HydrophobicContact CG2-CG 4.29Å
142	K	36.9	Very low	36	Very low	164 Å²	164	152.8 Å²	152.8	71%	0.713	78%	0.779	S	S	*	*			trans	-134.3	142.1	172.8	-158.9	-172.3	178.1	174.5	0	112.2	D140	D140-K142 PolarHBondContact O-N 3.49Å
143	M	33.2	Very low	35.8	Very low	145 Å²	145	150.5 Å²	150.5	71%	0.714	78%	0.782	S	S	*	*			trans	78.3	122.4	167.9	-51	-163.1	177.7	0	0	117.7
144	E	31.6	Very low	35.7	Very low	195 Å²	195	150 Å²	150	91%	0.911	79%	0.785	S	S	*	*				-150.9	87.9	123.8	-110.4	158.1	-172.4	0	0	109.8
145	S	39.6	Very low	35.6	Very low	107 Å²	107	153.8 Å²	153.8	75%	0.748	80%	0.797	S	S	*	*			trans	-102.4	104.7	166.4	59.3	0	0	0	0	109	G147	S145-G147 PolarHBondContact O-N 2.9Å
146	N	34.4	Very low	35.5	Very low	164 Å²	164	152.2 Å²	152.2	88%	0.877	80%	0.798	S	S	*	*			trans	-64.9	102.3	178	-89	-39.7	0	0	0	111.7
147	G	35.8	Very low	35.6	Very low	73 Å²	73	149 Å²	149	75%	0.753	80%	0.802	S	S	*	*			trans	-120.4	92.7	168.5	0	0	0	0	0	110.6	S145	S145-G147 PolarHBondContact O-N 2.9Å
148	R	34.6	Very low	35.7	Very low	231 Å²	231	145.2 Å²	145.2	87%	0.872	80%	0.802	S	S	*	*			trans	-77.9	152.7	174.4	-66.3	173.8	78.8	-177.6	6.2	110.3
149	S	36.7	Very low	35.8	Very low	115 Å²	115	143.7 Å²	143.7	80%	0.804	80%	0.798	S	S	*	*			trans	91.4	132.6	173.3	-42.1	0	0	0	0	114.1
150	S	35.7	Very low	35.5	Very low	107 Å²	107	146.7 Å²	146.7	75%	0.748	80%	0.8	S	S	*	*			cis	-165.2	141.8	-2.8	47	0	0	0	0	111.7
151	A	34.8	Very low	35.5	Very low	87 Å²	87	148.8 Å²	148.8	72%	0.719	80%	0.797	S	S	*	*			trans	61.1	138	159.1	0	0	0	0	0	118.1
152	W	34	Very low	36	Very low	258 Å²	258	144.9 Å²	144.9	98%	0.977	80%	0.795	S	S	*	*				-163	153	98.2	-96.3	35.9	0	0	0	107.5
153	S	33.8	Very low	36.2	Very low	121 Å²	121	142.5 Å²	142.5	85%	0.846	80%	0.796	S	S	*	*			trans	-81.9	155	-158.3	-55.5	0	0	0	0	115.4
154	T	33.4	Very low	36.6	Very low	136 Å²	136	142.9 Å²	142.9	83%	0.834	80%	0.8	S	S	*	*			trans	-67.4	142.4	172.5	40.1	0	0	0	0	113.6
155	L	33.1	Very low	36.9	Very low	165 Å²	165	139.9 Å²	139.9	86%	0.864	79%	0.79	S	S	*	*			trans	-149.4	152.7	161.8	-87.6	178.8	0	0	0	111.1
156	S	34	Very low	36.9	Very low	114 Å²	114	144.8 Å²	144.8	80%	0.797	79%	0.792	S	S	*	*			trans	73.5	128.4	169.5	-50.4	0	0	0	0	115.3
157	S	37.1	Very low	37.1	Very low	113 Å²	113	141.1 Å²	141.1	79%	0.79	78%	0.779	S	S	*	*			cis	-153.3	171.2	-1.9	-65.1	0	0	0	0	106.9
158	S	35.7	Very low	37.2	Very low	101 Å²	101	145.8 Å²	145.8	71%	0.706	78%	0.782	S	S	*	*			cis	-176.6	146.3	34.5	-165.9	0	0	0	0	110.3
159	T	37.3	Very low	37.5	Very low	118 Å²	118	141.7 Å²	141.7	72%	0.724	78%	0.782	S	S	*	*			trans	63.1	123.5	141.7	-60.5	0	0	0	0	118.2
160	R	38.3	Very low	37.7	Very low	204 Å²	204	140.5 Å²	140.5	77%	0.77	78%	0.78	S	S	*	*			cis	-169.9	164.8	28.6	-142.6	170.9	-170.6	-169.3	2.2	113.1
161	R	39.6	Very low	38.1	Very low	194 Å²	194	141 Å²	141	73%	0.732	78%	0.78	S	S	*	*			trans	85	98.7	154.2	-67.6	-171.2	-176.5	-99.6	1.6	121.6
162	T	46.7	Very low	38.3	Very low	131 Å²	131	145.3 Å²	145.3	80%	0.804	79%	0.785	S	S	*	*				79.8	139.4	129.7	48.6	0	0	0	0	121.9
163	P	40.2	Very low	38.5	Very low	113 Å²	113	140 Å²	140	73%	0.734	78%	0.775	S	S	*	*			trans	-120.9	176.1	-165.7	43.6	-29.7	0	0	0	115.2
164	I	41.7	Very low	38.7	Very low	154 Å²	154	141.5 Å²	141.5	79%	0.79	77%	0.774	S	S	*	*			trans	160.1	107	144.5	-84.5	154.6	0	0	0	106.5
165	N	38.6	Very low	38.8	Very low	132 Å²	132	138 Å²	138	71%	0.706	77%	0.765	S	S	*	*				55.7	130.7	99.9	-108.3	-5.1	0	0	0	114.1
166	R	39.1	Very low	39	Very low	210 Å²	210	136.9 Å²	136.9	79%	0.792	76%	0.76	S	S	*	*			cis	-169.7	166.2	0.7	-149.5	-179.9	-160.8	-178.9	2.9	108.8
167	S	38.1	Very low	39.3	Very low	86 Å²	86	139.1 Å²	139.1	60%	0.601	76%	0.757	S	S	*	*			trans	23.4	144	147.4	49.3	0	0	0	0	121.1
168	E	38.3	Very low	39.5	Very low	172 Å²	172	140.4 Å²	140.4	80%	0.804	75%	0.751	S	S	*	*			cis	-156.7	165.8	14.1	-97.3	142.7	141.2	0	0	106.5
169	T	41.2	Very low	39.4	Very low	144 Å²	144	142.7 Å²	142.7	88%	0.883	76%	0.755	S	S	*	*				173.6	165.3	74.9	-40.2	0	0	0	0	108
170	A	40.6	Very low	39.4	Very low	91 Å²	91	141 Å²	141	75%	0.752	76%	0.76	S	S	*	*			trans	-97.4	-163.3	-170.3	0	0	0	0	0	114.3
171	P	45.2	Very low	39.1	Very low	116 Å²	116	139 Å²	139	75%	0.753	76%	0.763	S	S	*	*				-123.3	174.4	-124.9	34.1	-12.8	0	0	0	116.2
172	H	37.9	Very low	38.9	Very low	178 Å²	178	137.3 Å²	137.3	82%	0.824	77%	0.768	S	S	*	*			trans	-144.9	122.5	170.6	-101.4	-91.5	0	0	0	115.3
173	L	39	Very low	38.3	Very low	146 Å²	146	135.2 Å²	135.2	76%	0.764	76%	0.759	S	S	*	*			trans	19.6	135.9	139.9	-51.7	171.8	0	0	0	122
174	N	36.9	Very low	37.9	Very low	154 Å²	154	137 Å²	137	82%	0.824	76%	0.761	S	S	*	*				136.9	149.6	99.1	-137.8	9.1	0	0	0	117.7
175	G	37.1	Very low	37.4	Very low	63 Å²	63	136.9 Å²	136.9	65%	0.649	76%	0.762	S	S	*	*			trans	94	116.9	162.1	0	0	0	0	0	116
176	N	35.6	Very low	37	Very low	141 Å²	141	137.9 Å²	137.9	75%	0.754	77%	0.767	S	S	*	*			cis	99	151.3	34.5	-78.5	3.3	0	0	0	115.2
177	H	41.4	Very low	36.9	Very low	160 Å²	160	136.7 Å²	136.7	74%	0.741	77%	0.77	S	S	*	*			trans	83.1	144.4	175.5	-51.8	-70.5	0	0	0	117.8
178	E	40	Very low	36.7	Very low	141 Å²	141	139.8 Å²	139.8	66%	0.659	78%	0.775	S	S	*	*			cis	-171.3	147.1	-38.5	-118.3	173.5	-110.3	0	0	110.3
179	N	34.3	Very low	36.4	Very low	149 Å²	149	136.7 Å²	136.7	80%	0.797	76%	0.763	S	S	*	*			trans	43.4	121.1	149.2	-58.7	-34.9	0	0	0	122.5
180	G	36.7	Very low	35.8	Very low	81 Å²	81	136.8 Å²	136.8	84%	0.835	75%	0.753	S	S	*	*			trans	-174.3	115.3	162.3	0	0	0	0	0	113.3
181	I	33.3	Very low	35.5	Very low	162 Å²	162	141.3 Å²	141.3	83%	0.831	76%	0.756	S	S	*	*			trans	-92.4	152.6	-170.3	-67	172.9	0	0	0	112.3
182	L	35.1	Very low	34.8	Very low	159 Å²	159	143.4 Å²	143.4	83%	0.832	76%	0.761	S	S	*	*			trans	132	138.9	156.9	-73.6	166.5	0	0	0	111.2
183	S	33	Very low	34.3	Very low	87 Å²	87	142.6 Å²	142.6	61%	0.608	76%	0.762	S	S	*	*			cis	-163.5	145.8	-20.7	-141.9	0	0	0	0	109.9
184	I	32.2	Very low	34	Very low	152 Å²	152	142.3 Å²	142.3	78%	0.779	76%	0.76	S	S	*	*			trans	60.2	103.5	158.4	-48.7	151.7	0	0	0	118.2
185	N	30.7	Very low	33.7	Very low	151 Å²	151	142.9 Å²	142.9	81%	0.807	76%	0.758	S	S	*	*			trans	-155.6	150.4	137.9	-102.3	-37.7	0	0	0	109.6
186	N	31.4	Very low	33.5	Very low	152 Å²	152	146.8 Å²	146.8	81%	0.813	76%	0.759	S	S	*	*			trans	82.6	87.1	178.9	-51.1	-46.9	0	0	0	118.3
187	H	36.6	Very low	33.2	Very low	185 Å²	185	145 Å²	145	86%	0.856	76%	0.758	S	S	*	*			trans	-77.5	132.5	137.6	-83.6	-77.1	0	0	0	107.3
188	H	35.1	Very low	32.7	Very low	151 Å²	151	143.4 Å²	143.4	70%	0.699	76%	0.76	S	S	*	*			cis	66.3	120.6	38.8	-130.4	62.1	0	0	0	110.2
189	L	31.3	Very low	32.5	Very low	108 Å²	108	145 Å²	145	57%	0.565	77%	0.773	S	S	*	*			cis	-162.2	171.4	4.6	-105.5	173.4	0	0	0	108.7
190	Q	29.3	Very low	32.2	Very low	145 Å²	145	141.3 Å²	141.3	68%	0.678	77%	0.77	S	S	*	*			trans	38.4	136.9	143.5	-56.6	164.1	6.3	0	0	119.7
191	K	33.9	Very low	32.1	Very low	187 Å²	187	144.3 Å²	144.3	81%	0.813	77%	0.765	S	S	*	*				-169	154.6	69.2	-86.6	179.3	-179.5	169.6	0	112.2
192	N	29.5	Very low	31.9	Very low	160 Å²	160	144.4 Å²	144.4	86%	0.856	77%	0.767	S	S	*	*			trans	-71	167.3	162.9	-80	-54.2	0	0	0	112.3
193	L	27.8	Very low	31.8	Very low	161 Å²	161	146.2 Å²	146.2	84%	0.843	76%	0.764	S	S	*	*			trans	91.9	154.6	154	-141.1	70.3	0	0	0	117.8
194	L	33.8	Very low	32	Very low	139 Å²	139	147.4 Å²	147.4	73%	0.728	77%	0.77	S	S	*	*			trans	75.7	114.9	-171.1	-57.1	125.5	0	0	0	112.4
195	Q	28.7	Very low	31.9	Very low	166 Å²	166	145.9 Å²	145.9	78%	0.776	77%	0.768	S	S	*	*			cis	58.7	145.7	44.3	-63.5	-158.4	38.3	0	0	114.6
196	H	34.4	Very low	32.1	Very low	145 Å²	145	145.3 Å²	145.3	67%	0.671	76%	0.764	S	S	*	*			trans	71.5	143.6	-178.6	-31.8	-61.3	0	0	0	114.5
197	S	28.3	Very low	32	Very low	104 Å²	104	145.1 Å²	145.1	73%	0.727	76%	0.762	S	S	*	*			cis	-159.6	160.6	-18.8	-104.1	0	0	0	0	110.5
198	T	30.5	Very low	31.9	Very low	127 Å²	127	143.2 Å²	143.2	78%	0.779	76%	0.758	S	S	*	*			trans	-33.5	137.9	170.7	52	0	0	0	0	118.4
199	N	36.8	Very low	31.6	Very low	175 Å²	175	140.7 Å²	140.7	94%	0.936	76%	0.755	S	S	*	*			trans	-147.8	131.3	142.5	-76	-46.3	0	0	0	105.8
200	G	27.7	Very low	31.4	Very low	71 Å²	71	146.8 Å²	146.8	73%	0.732	77%	0.77	S	S	*	*			cis	142.8	61.7	7	0	0	0	0	0	110.4
201	I	34.4	Very low	31.4	Very low	144 Å²	144	145 Å²	145	74%	0.738	77%	0.774	S	S	*	*			trans	-135.7	96.6	171.5	-57.1	-179.1	0	0	0	107.6	Y203	I201-Y203 HydrophobicContact CG2-CD2 4.17Å; I201-Y203 HydrophobicContact CG2-CE2 3.86Å
202	D	29.9	Very low	31	Very low	164 Å²	164	143.8 Å²	143.8	88%	0.877	78%	0.777	S	S	*	*			trans	-73.3	123.2	174.5	-69.8	-52.1	0	0	0	110.4
203	Y	32.7	Very low	30.8	Very low	196 Å²	196	141.8 Å²	141.8	77%	0.769	78%	0.775	S	S	*	*			trans	-102.5	136.9	158.1	-83.6	-88.5	0	0	0	108.4	I201 T205	I201-Y203 HydrophobicContact CG2-CD2 4.17Å; I201-Y203 HydrophobicContact CG2-CE2 3.86Å; Y203-T205 PolarHBondContact O-N 3.4Å; Y203-T205 VanDerWaalsContact O-N 3.12Å
204	P	36.7	Very low	30.9	Very low	112 Å²	112	141.5 Å²	141.5	73%	0.727	77%	0.773	S	S	*	*			trans	-69.2	113.2	-175	27.4	-33.8	0	0	0	110.7	I206	P204-I206 PolarHBondContact O-N 3.26Å; P204-I206 VanDerWaalsContact O-N 3.09Å
205	T	30.2	Very low	30.7	Very low	121 Å²	121	141.9 Å²	141.9	74%	0.742	78%	0.776	S	S	*	*			trans	-62.9	108.2	164	-60.6	0	0	0	0	108.4	Y203 D207	Y203-T205 PolarHBondContact O-N 3.4Å; Y203-T205 VanDerWaalsContact O-N 3.12Å; T205-D207 PolarHBondContact O-N 3.32Å
206	I	35.7	Very low	30.6	Very low	139 Å²	139	145.2 Å²	145.2	71%	0.713	78%	0.781	S	S	*	*			trans	-79.2	97.8	169.2	-60.2	177.4	0	0	0	106.7	P204 L208	P204-I206 PolarHBondContact O-N 3.26Å; P204-I206 VanDerWaalsContact O-N 3.09Å; I206-L208 HydrophobicContact CG2-CG 4.46Å; I206-L208 PolarHBondContact O-N 3.29Å
207	D	28.2	Very low	30.3	Very low	147 Å²	147	148.4 Å²	148.4	79%	0.786	79%	0.793	S	S	*	*			trans	-61.6	97.1	169	-89.7	-30.5	0	0	0	109.4	T205	T205-D207 PolarHBondContact O-N 3.32Å
208	L	35	Very low	30.3	Very low	145 Å²	145	149.4 Å²	149.4	76%	0.759	80%	0.795	S	S	*	*			trans	-79.4	120.5	163.1	-76.3	166.1	0	0	0	107.7	I206	I206-L208 HydrophobicContact CG2-CG 4.46Å; I206-L208 PolarHBondContact O-N 3.29Å
209	P	28.7	Very low	30.2	Very low	98 Å²	98	150.1 Å²	150.1	64%	0.636	79%	0.794	S	S	*	*			trans	-67.2	160.9	171.9	32.9	-36	0	0	0	109.3
210	W	28.1	Very low	29.9	Very low	236 Å²	236	149.3 Å²	149.3	89%	0.894	79%	0.79	S	S	*	*			trans	109.6	44.8	172.9	-52.2	8.4	0	0	0	116.9
211	S	27.5	Very low	30	Very low	107 Å²	107	152.1 Å²	152.1	75%	0.748	79%	0.793	S	S	*	*			trans	-157.3	60.9	163.5	45.1	0	0	0	0	113.3
212	N	26.1	Very low	29.8	Very low	163 Å²	163	152.6 Å²	152.6	87%	0.872	80%	0.797	S	S	*	*			trans	-154.3	75.7	170.8	-93.6	-40.8	0	0	0	112
213	S	26.1	Very low	30	Very low	118 Å²	118	151.4 Å²	151.4	83%	0.825	79%	0.791	S	S	*	*			trans	-165.8	76	163	-84.8	0	0	0	0	111.8
214	I	29.8	Very low	29.9	Very low	155 Å²	155	152 Å²	152	80%	0.795	79%	0.791	S	S	*	*			trans	-156.6	165	146.8	-129.9	72.8	0	0	0	106.5
215	D	28.7	Very low	29.8	Very low	147 Å²	147	153.2 Å²	153.2	79%	0.786	79%	0.787	S	S	*	*			trans	70.7	64.9	177.9	-55.1	-26.5	0	0	0	118.4
216	R	27.7	Very low	29.6	Very low	236 Å²	236	154.2 Å²	154.2	89%	0.891	79%	0.787	S	S	*	*			trans	-140.4	100.2	138.8	-72.5	-168.4	179.6	-166.2	-0	109.5
217	F	27.6	Very low	29.4	Very low	212 Å²	212	157.9 Å²	157.9	93%	0.93	79%	0.794	S	S	*	*			trans	173.6	72.5	149.9	-96.8	-61	0	0	0	113.3
218	T	28.1	Very low	29.3	Very low	124 Å²	124	155.6 Å²	155.6	76%	0.761	79%	0.789	S	S	*	*			trans	-148	149.7	144.2	76.9	0	0	0	0	105.4
219	D	29.2	Very low	29.1	Very low	143 Å²	143	153.2 Å²	153.2	77%	0.765	79%	0.785	S	S	*	*			cis	-143.1	146.3	7	-74.2	-78	0	0	0	109.3
220	N	30.3	Very low	29.1	Very low	158 Å²	158	152.7 Å²	152.7	85%	0.845	78%	0.784	S	S	*	*			trans	-170.7	93.2	133.5	-135.1	-28.7	0	0	0	113
221	T	29.8	Very low	29.5	Very low	130 Å²	130	149.3 Å²	149.3	80%	0.798	78%	0.778	S	S	*	*			trans	-142.1	106.9	160.9	50.3	0	0	0	0	110.2
222	N	30.4	Very low	29.8	Very low	153 Å²	153	152 Å²	152	82%	0.818	78%	0.778	S	S	*	*			trans	-171.7	103.4	147.1	-99.5	-31.2	0	0	0	111
223	N	33.6	Very low	29.9	Very low	139 Å²	139	148.2 Å²	148.2	74%	0.743	76%	0.764	S	S	*	*			trans	-173.8	117.6	130.8	-101.9	-52.1	0	0	0	113.5
224	R	31.2	Very low	30.3	Very low	208 Å²	208	150.7 Å²	150.7	79%	0.785	77%	0.767	S	S	*	*				76.5	125.4	129.6	-80.1	176.3	-165.3	-115.3	-4.3	122.9
225	Q	33	Very low	30.4	Very low	138 Å²	138	147.3 Å²	147.3	65%	0.645	76%	0.763	S	S	*	*			trans	75.6	111.1	144	-54.6	-78.5	-22.2	0	0	115.6
226	L	26.6	Very low	31.1	Very low	142 Å²	142	146.1 Å²	146.1	74%	0.743	76%	0.763	S	S	*	*				80.4	143	62.4	-79.3	167.6	0	0	0	114.5
227	Y	31.4	Very low	31.6	Very low	217 Å²	217	141.8 Å²	141.8	85%	0.851	76%	0.763	S	S	*	*			trans	73.1	143.8	-171.2	-62.1	-88.7	0	0	0	116.5
228	S	26.9	Very low	32.2	Very low	98 Å²	98	136.6 Å²	136.6	69%	0.685	75%	0.75	S	S	*	*			cis	168.8	153.8	-34	-177.1	0	0	0	0	106.1
229	S	29.6	Very low	32.6	Very low	95 Å²	95	136.9 Å²	136.9	66%	0.664	75%	0.752	S	S	*	*			trans	72.4	92.4	154.4	-58.7	0	0	0	0	120.6
230	S	29.3	Very low	33.2	Very low	88 Å²	88	135.2 Å²	135.2	62%	0.615	75%	0.749	S	S	*	*				63.5	155.6	110	62.9	0	0	0	0	123.2
231	H	36.5	Very low	33.6	Very low	165 Å²	165	132.1 Å²	132.1	76%	0.764	74%	0.74	S	S	*	*			trans	77.4	143.2	171.8	-47.7	-75.7	0	0	0	116.1
232	H	33.1	Very low	34	Very low	162 Å²	162	133.5 Å²	133.5	75%	0.75	74%	0.737	S	S	*	*			cis	178	152	-27	-139.3	-78.6	0	0	0	104.8
233	S	30	Very low	34.4	Very low	84 Å²	84	132.9 Å²	132.9	59%	0.587	73%	0.733	S	S	*	*			trans	78.9	130.1	145.3	-67.6	0	0	0	0	122.8
234	L	32.7	Very low	34.6	Very low	171 Å²	171	131.1 Å²	131.1	90%	0.895	73%	0.727	S	S	*	*			trans	72.7	142.4	146.9	-58.1	156.9	0	0	0	117.9
235	A	33.2	Very low	34.9	Very low	84 Å²	84	128.8 Å²	128.8	69%	0.694	73%	0.731	S	S	*	*			cis	-163.6	165	-15.3	0	0	0	0	0	109.5
236	P	42.5	Very low	34.9	Very low	122 Å²	122	127.2 Å²	127.2	79%	0.792	74%	0.735	S	S	*	*			trans	-107.7	158.2	-178.1	39	-32.3	0	0	0	115
237	T	38.1	Very low	35.4	Very low	144 Å²	144	126.3 Å²	126.3	88%	0.883	74%	0.735	S	S	*	*			trans	-153.5	158.7	170.2	24.5	0	0	0	0	114.1
238	P	40.3	Very low	35.6	Very low	103 Å²	103	121 Å²	121	67%	0.669	73%	0.73	S	S	*	*			trans	-140.8	162.8	-150	42.8	-24.4	0	0	0	119.7
239	T	37.1	Very low	36.1	Very low	130 Å²	130	122.3 Å²	122.3	80%	0.798	74%	0.736	S	S	*	*			trans	57.7	-179.4	145.3	56.1	0	0	0	0	119.2
240	P	42.1	Very low	36.4	Very low	108 Å²	108	129.2 Å²	129.2	70%	0.701	75%	0.748	S	S	*	*			cis	-137.9	-172.7	0.6	44.4	-26	0	0	0	117.6
241	S	39	Very low	36.6	Very low	93 Å²	93	130.1 Å²	130.1	65%	0.65	75%	0.754	S	S	*	*			trans	68.5	142.3	155.2	-65.4	0	0	0	0	118.3
242	E	38.3	Very low	36.6	Very low	159 Å²	159	131.8 Å²	131.8	74%	0.743	76%	0.759	S	S	*	*			cis	-161.6	-170.5	-4.7	-120.9	158.1	-100.1	0	0	108.1
243	L	38.4	Very low	36.6	Very low	141 Å²	141	129.1 Å²	129.1	74%	0.738	76%	0.759	S	S	*	*			cis	-149.1	-140.7	17.9	-134.6	159.9	0	0	0	110.7
244	T	36.8	Very low	36.9	Very low	101 Å²	101	130.4 Å²	130.4	62%	0.62	76%	0.763	S	S	*	*			trans	-115.7	146.5	-164.5	50.2	0	0	0	0	116.5
245	N	37.4	Very low	36.8	Very low	160 Å²	160	127.9 Å²	127.9	86%	0.856	75%	0.754	S	S	*	*				-175.8	154	112.1	-93.2	-25.2	0	0	0	114.9
246	S	33.2	Very low	36.9	Very low	104 Å²	104	134.3 Å²	134.3	73%	0.727	76%	0.762	S	S	*	*			trans	-78.3	163.6	-169.1	59.5	0	0	0	0	114.1
247	T	38.6	Very low	36.7	Very low	123 Å²	123	139.3 Å²	139.3	76%	0.755	77%	0.765	S	S	*	*				-173.2	122	71.8	-60.7	0	0	0	0	114.8
248	S	34	Very low	36.3	Very low	105 Å²	105	138.7 Å²	138.7	73%	0.734	76%	0.761	S	S	*	*			trans	57.7	123	142	-153.6	0	0	0	0	123.8
249	P	38.1	Very low	36.1	Very low	126 Å²	126	145.6 Å²	145.6	82%	0.818	77%	0.774	S	S	*	*			trans	-101.6	157	157.7	38	-30.3	0	0	0	112.8
250	R	35.6	Very low	35.9	Very low	241 Å²	241	143.6 Å²	143.6	91%	0.909	77%	0.765	S	S	*	*			trans	-147.3	123.9	167.1	-167.7	166.4	179.7	138.7	-0.8	115.5
251	S	33.6	Very low	35.5	Very low	107 Å²	107	145.3 Å²	145.3	75%	0.748	77%	0.768	S	S	*	*			trans	-71.1	152.1	177.2	-34	0	0	0	0	114.2
252	K	37.5	Very low	35.6	Very low	200 Å²	200	146.2 Å²	146.2	87%	0.87	77%	0.772	S	S	*	*			trans	-140.5	104.7	143.4	-78.3	-164.4	178.1	177.7	0	111.3
253	S	31.4	Very low	35.5	Very low	106 Å²	106	147 Å²	147	74%	0.741	78%	0.78	S	S	*	*			trans	-83.2	138.1	153.7	173.1	0	0	0	0	108.1
254	T	37	Very low	35.3	Very low	110 Å²	110	145.4 Å²	145.4	68%	0.675	78%	0.781	S	S	*	*			trans	-140.9	107	165.3	-65.8	0	0	0	0	108.9	Y256	T254-Y256 HydrophobicContact CG2-CD2 3.71Å; T254-Y256 HydrophobicContact CG2-CE2 4.03Å
255	V	31.6	Very low	35.5	Very low	118 Å²	118	146 Å²	146	72%	0.715	79%	0.786	S	S	*	*			trans	-89.6	128.3	168.6	172.4	0	0	0	0	108.3
256	Y	35	Very low	35.4	Very low	220 Å²	220	149.7 Å²	149.7	86%	0.863	79%	0.788	S	S	*	*			trans	-136.2	145.6	158	-89.5	-75	0	0	0	112.1	T254	T254-Y256 HydrophobicContact CG2-CD2 3.71Å; T254-Y256 HydrophobicContact CG2-CE2 4.03Å
257	R	37.4	Very low	35.3	Very low	227 Å²	227	149 Å²	149	86%	0.857	78%	0.784	S	S	*	*			trans	-87.8	146.4	-166	-72.3	173.6	169.2	164.6	-5.3	113.2
258	V	30.6	Very low	35.3	Very low	130 Å²	130	151.5 Å²	151.5	79%	0.788	79%	0.79	S	S	*	*				28.5	115.3	128.9	-171.4	0	0	0	0	117.7
259	R	34.5	Very low	35.2	Very low	249 Å²	249	154.8 Å²	154.8	94%	0.94	79%	0.794	S	S	*	*			trans	-159	163.1	130.2	-111.4	165.9	-177.8	163.5	-0.2	111
260	S	34	Very low	35	Very low	88 Å²	88	152.4 Å²	152.4	62%	0.615	79%	0.793	S	S	*	*			trans	-127.2	158.4	-146.7	55.7	0	0	0	0	114.9
261	D	34.3	Very low	34.9	Very low	143 Å²	143	151.2 Å²	151.2	77%	0.765	79%	0.788	S	S	*	*			trans	64.4	173.4	158.7	-43.8	-44.9	0	0	0	116.9
262	P	39.9	Very low	34.8	Very low	113 Å²	113	155.7 Å²	155.7	73%	0.734	79%	0.789	S	S	*	*				-125.1	-179.1	-86.5	36.8	-20.9	0	0	0	111.4
263	L	37.6	Very low	34.6	Very low	174 Å²	174	152.7 Å²	152.7	91%	0.911	78%	0.778	S	S	*	*			trans	172.4	127.7	145.3	-94.9	156.8	0	0	0	111.1
264	S	33.2	Very low	34.6	Very low	109 Å²	109	151.9 Å²	151.9	76%	0.762	78%	0.778	S	S	*	*			trans	-81.5	162.4	163.1	-52.4	0	0	0	0	110.6
265	P	40.1	Very low	34.3	Very low	113 Å²	113	152.7 Å²	152.7	73%	0.734	79%	0.788	S	S	*	*				-149.2	155	101.3	36.1	-19.4	0	0	0	117.3
266	R	36.2	Very low	34.4	Very low	237 Å²	237	154.6 Å²	154.6	89%	0.894	79%	0.792	S	S	*	*			trans	36.5	113.2	148.6	-64.6	176.7	168.8	-172.7	-5	119.1
267	S	31	Very low	34.2	Very low	90 Å²	90	149.5 Å²	149.5	63%	0.629	79%	0.789	S	S	*	*				66.2	100.1	67.4	177.8	0	0	0	0	116.4
268	I	37.9	Very low	33.9	Very low	175 Å²	175	145 Å²	145	90%	0.897	79%	0.786	S	S	*	*			trans	-134.1	144	142.6	-63.5	-173.5	0	0	0	108.2
269	H	32.6	Very low	34.2	Very low	174 Å²	174	142.1 Å²	142.1	81%	0.806	78%	0.777	S	S	*	*			trans	-96	161.3	-168.1	-77.8	39.1	0	0	0	114.9
270	G	33.7	Very low	34.2	Very low	77 Å²	77	136.5 Å²	136.5	79%	0.794	77%	0.772	S	S	*	*			trans	161.6	68.7	166.2	0	0	0	0	0	112.9
271	R	33.2	Very low	34.3	Very low	215 Å²	215	139.3 Å²	139.3	81%	0.811	78%	0.779	S	S	*	*				79.6	98.6	76.2	-166.6	-162.9	-143.1	-93.3	7.4	114.2	E273	R271-E273 IonicContact NH1-OE1 3.94Å
272	R	32.1	Very low	34.1	Very low	202 Å²	202	139.6 Å²	139.6	76%	0.762	78%	0.781	S	S	*	*			trans	178.8	115.6	132.3	-95.1	-155.2	160.7	128.5	-2.4	109.4
273	E	32.6	Very low	33.8	Very low	136 Å²	136	141 Å²	141	64%	0.636	78%	0.781	S	S	*	*				74.8	124.7	96.5	-71.3	165	-149.2	0	0	112.9	R271	R271-E273 IonicContact NH1-OE1 3.94Å
274	A	32.7	Very low	33.4	Very low	90 Å²	90	143.9 Å²	143.9	74%	0.744	78%	0.779	S	S	*	*			cis	-158.5	136.1	-15	0	0	0	0	0	109.9
275	S	29.9	Very low	33.3	Very low	127 Å²	127	143.9 Å²	143.9	89%	0.888	78%	0.779	S	S	*	*			trans	-87.5	122	175.7	-52.7	0	0	0	0	111
276	I	33.3	Very low	33	Very low	157 Å²	157	143.3 Å²	143.3	81%	0.805	78%	0.784	S	S	*	*			trans	-100	101.3	170.7	-54.8	177.3	0	0	0	108.1
277	S	30.6	Very low	32.8	Very low	114 Å²	114	140.3 Å²	140.3	80%	0.797	79%	0.785	S	S	*	*			trans	-90.7	109.8	173.1	-175.4	0	0	0	0	109.3	A279	S277-A279 PolarHBondContact O-N 2.71Å; S277-A279 VanDerWaalsContact O-N 3.15Å
278	T	32.9	Very low	33.1	Very low	131 Å²	131	141.8 Å²	141.8	80%	0.804	79%	0.792	S	S	*	*			trans	-79.8	94.6	-178.9	-54	0	0	0	0	110.7
279	A	36.1	Very low	32.8	Very low	71 Å²	71	140.5 Å²	140.5	59%	0.587	79%	0.787	S	S	*	*			trans	-91.4	141.4	161.5	0	0	0	0	0	109.8	S277 I281	S277-A279 PolarHBondContact O-N 2.71Å; S277-A279 VanDerWaalsContact O-N 3.15Å; A279-I281 PolarHBondContact O-N 3.14Å
280	P	34.8	Very low	33.1	Very low	130 Å²	130	140.7 Å²	140.7	84%	0.844	79%	0.793	S	S	*	*			trans	-72.7	113	-178.8	28.8	-33.3	0	0	0	110.6	N282	P280-N282 PolarHBondContact O-N 3.25Å
281	I	35.1	Very low	32.9	Very low	148 Å²	148	144 Å²	144	76%	0.759	79%	0.793	S	S	*	*			trans	-77	116.2	175.3	-69.3	176.2	0	0	0	109.2	A279 I283	A279-I281 PolarHBondContact O-N 3.14Å; I281-I283 HydrophobicContact CG2-CD1 3.52Å; I281-I283 HydrophobicContact CG2-CG1 3.65Å
282	N	29.9	Very low	33.1	Very low	149 Å²	149	139.6 Å²	139.6	80%	0.797	80%	0.795	S	S	*	*			trans	-96.3	103.9	176.6	-172.8	-0.4	0	0	0	108.8	P280	P280-N282 PolarHBondContact O-N 3.25Å
283	I	34.9	Very low	33.2	Very low	143 Å²	143	133 Å²	133	73%	0.733	79%	0.79	S	S	*	*			trans	-117.9	110.2	174.9	-67.7	166.5	0	0	0	109	I281	I281-I283 HydrophobicContact CG2-CD1 3.52Å; I281-I283 HydrophobicContact CG2-CG1 3.65Å
284	R	27.9	Very low	33.3	Very low	234 Å²	234	133 Å²	133	88%	0.883	81%	0.805	S	S	*	*			trans	-140.8	69.1	176.7	-166.8	-167.8	-165.8	-143.2	4.4	110.6
285	S	31.5	Very low	33.4	Very low	109 Å²	109	140.1 Å²	140.1	76%	0.762	81%	0.813	S	S	*	*			trans	-175.2	110.4	168.8	49.8	0	0	0	0	112.5
286	A	34.1	Very low	33.5	Very low	101 Å²	101	137.2 Å²	137.2	84%	0.835	80%	0.802	S	S	*	*			trans	164.1	92.7	137.8	0	0	0	0	0	111.2
287	L	32	Very low	33.6	Very low	173 Å²	173	139.2 Å²	139.2	91%	0.906	80%	0.801	S	S	*	*			trans	-85.1	149.8	151.8	-76.9	164	0	0	0	108.2
288	P	38.4	Very low	33.7	Very low	122 Å²	122	142.8 Å²	142.8	79%	0.792	80%	0.798	S	S	*	*			trans	-107.2	136.4	142.6	32.6	-27.4	0	0	0	110.8
289	N	31.2	Very low	33.9	Very low	147 Å²	147	144.5 Å²	144.5	79%	0.786	80%	0.797	S	S	*	*			trans	-79.1	134.3	-175.3	-153.7	-1.9	0	0	0	110.5
290	L	37.4	Very low	33.8	Very low	178 Å²	178	148.6 Å²	148.6	93%	0.932	80%	0.804	S	S	*	*			trans	-136.5	93	160.5	-78.3	-179.7	0	0	0	109.2
291	N	30.5	Very low	34	Very low	148 Å²	148	148.9 Å²	148.9	79%	0.791	80%	0.804	S	S	*	*			trans	-141.9	95.6	169.4	-169.7	8.9	0	0	0	110.6
292	S	37.3	Very low	34	Very low	121 Å²	121	149 Å²	149	85%	0.846	81%	0.806	S	S	*	*			trans	-158.2	126.3	156.8	55	0	0	0	0	106.1
293	G	33.3	Very low	34.7	Very low	65 Å²	65	147.2 Å²	147.2	67%	0.67	80%	0.802	S	S	*	*			cis	120.6	87.7	14.4	0	0	0	0	0	108.8
294	S	36	Very low	34.9	Very low	134 Å²	134	145.7 Å²	145.7	94%	0.937	80%	0.804	S	S	*	*			trans	-167.5	156.5	157.8	-89	0	0	0	0	111.7
295	R	33.5	Very low	35.5	Very low	241 Å²	241	142.8 Å²	142.8	91%	0.909	80%	0.801	S	S	*	*			trans	-140.1	125.8	-151.9	171	-173.9	-180	177.8	1.1	111
296	G	32.5	Very low	35.7	Very low	65 Å²	65	142 Å²	142	67%	0.67	79%	0.793	S	S	*	*			trans	116.4	160.4	140.5	0	0	0	0	0	119.8
297	Y	36	Very low	35.8	Very low	199 Å²	199	143.8 Å²	143.8	78%	0.78	79%	0.787	S	S	*	*			trans	93.6	82.4	153.7	-55.9	-84.4	0	0	0	121.2
298	Y	32.7	Very low	36	Very low	189 Å²	189	144.5 Å²	144.5	74%	0.741	79%	0.786	S	S	*	*				57.9	157.6	125.1	-68.7	-78	0	0	0	125
299	H	36.8	Very low	35.7	Very low	167 Å²	167	143.4 Å²	143.4	77%	0.773	78%	0.781	S	S	*	*			trans	78	114.7	172.3	-56.7	-70.6	0	0	0	116.1
300	Q	35	Very low	35.9	Very low	158 Å²	158	142.6 Å²	142.6	74%	0.738	78%	0.781	S	S	*	*			cis	80.3	96.5	26.2	-162.7	-175	16.4	0	0	116.5
301	T	38.7	Very low	35.9	Very low	136 Å²	136	140.7 Å²	140.7	83%	0.834	77%	0.772	S	S	*	*			trans	-171.5	108.9	139.9	43.3	0	0	0	0	107.6
302	N	34.7	Very low	35.9	Very low	151 Å²	151	144.2 Å²	144.2	81%	0.807	78%	0.776	S	S	*	*				88.7	148.8	73.8	-98.8	12.9	0	0	0	116.2
303	P	44.9	Very low	36.2	Very low	111 Å²	111	143.3 Å²	143.3	72%	0.721	77%	0.767	S	S	*	*			trans	-126.5	178.4	-151.9	42.4	-27.2	0	0	0	116.8
304	S	38.3	Very low	36.2	Very low	110 Å²	110	147 Å²	147	77%	0.769	77%	0.772	S	S	*	*			trans	-172.6	160.8	170.9	-82.6	0	0	0	0	110.6
305	Q	39.8	Very low	36.4	Very low	174 Å²	174	150 Å²	150	81%	0.813	77%	0.768	S	S	*	*			cis	-156.2	163.1	-16.1	-92.7	-92.1	4.7	0	0	108.3
306	P	37.6	Very low	36.2	Very low	93 Å²	93	145.8 Å²	145.8	60%	0.604	76%	0.763	S	S	*	*			trans	-135.3	-172.8	-158	42.9	-25.4	0	0	0	118.4
307	I	35.2	Very low	36.4	Very low	138 Å²	138	148.9 Å²	148.9	71%	0.708	77%	0.769	S	S	*	*			trans	83.8	128.8	157.4	-54.1	157.2	0	0	0	120.6
308	Q	37.1	Very low	36	Very low	187 Å²	187	150.4 Å²	150.4	87%	0.874	78%	0.775	S	S	*	*			trans	160.1	116.2	132.5	-86.4	174.4	52.8	0	0	108.6
309	S	31.6	Very low	36.1	Very low	100 Å²	100	147.2 Å²	147.2	70%	0.699	78%	0.775	S	S	*	*			cis	86.9	109.6	41.8	-64.4	0	0	0	0	115.3
310	T	36	Very low	35.8	Very low	129 Å²	129	144.8 Å²	144.8	79%	0.791	77%	0.772	S	S	*	*			trans	177.3	126.1	132.6	37.8	0	0	0	0	115.8
311	N	35.6	Very low	35.4	Very low	139 Å²	139	149.3 Å²	149.3	74%	0.743	78%	0.783	S	S	*	*			trans	65.6	104.8	135.1	-56.8	-21.9	0	0	0	126
312	Y	31.3	Very low	35.1	Very low	221 Å²	221	149.6 Å²	149.6	87%	0.867	78%	0.778	S	S	*	*				9.5	166.8	121.3	-69.3	-69.2	0	0	0	123.6
313	P	44	Very low	34.9	Very low	102 Å²	102	145.9 Å²	145.9	66%	0.662	78%	0.775	S	S	*	*			cis	-140.2	-176.1	-25.8	38.1	-18.8	0	0	0	116.5
314	D	33.5	Very low	34.2	Very low	142 Å²	142	149.4 Å²	149.4	76%	0.759	77%	0.774	S	S	*	*			trans	66.1	107.6	150.8	-72.1	-12.2	0	0	0	123.1
315	K	39.2	Very low	33.9	Very low	199 Å²	199	146.9 Å²	146.9	87%	0.865	76%	0.757	S	S	*	*				177.2	134.3	105.6	-94.9	159.3	-171.8	172.8	0	115.1
316	N	30.6	Very low	33.6	Very low	151 Å²	151	144.7 Å²	144.7	81%	0.807	76%	0.756	S	S	*	*			trans	-0.5	117.8	158.4	-58.1	-15.7	0	0	0	120.1
317	V	36	Very low	33.8	Very low	131 Å²	131	146.8 Å²	146.8	79%	0.794	76%	0.761	S	S	*	*			trans	-144.6	134	134.2	-177.9	0	0	0	0	109.6	T319	V317-T319 PolarHBondContact O-N 2.9Å
318	Y	28.4	Very low	34	Very low	230 Å²	230	145.6 Å²	145.6	90%	0.902	75%	0.753	S	S	*	*			trans	-74.3	111.8	168.1	-73.2	-105.8	0	0	0	109.9
319	T	33.4	Very low	34	Very low	122 Å²	122	142.7 Å²	142.7	75%	0.748	74%	0.743	S	S	*	*			trans	-137.4	111.3	164.6	-49	0	0	0	0	112	V317 R321	V317-T319 PolarHBondContact O-N 2.9Å; T319-R321 PolarHBondContact O-N 3.2Å
320	T	30.2	Very low	34.8	Very low	116 Å²	116	141.5 Å²	141.5	71%	0.712	73%	0.733	S	S	*	*			trans	-41.6	120.2	173.4	-25.9	0	0	0	0	113.4	I322	T320-I322 VanDerWaalsContact C-N 3.29Å; T320-I322 HydrophobicContact CG2-CD1 3.9Å; T320-I322 HydrophobicContact CG2-CG1 3.72Å; T320-I322 PolarHBondContact O-N 3.47Å; T320-I322 VanDerWaalsContact O-N 3.12Å
321	R	28.3	Very low	35.3	Very low	253 Å²	253	141.8 Å²	141.8	96%	0.955	73%	0.725	S	S	*	*			trans	-87.1	68.5	170.6	-144.8	-179.6	-151	-162.9	6.6	110.4	T319 G323	T319-R321 PolarHBondContact O-N 3.2Å; R321-G323 PolarHBondContact O-N 3.03Å
322	I	31.3	Very low	35.7	Very low	142 Å²	142	140.1 Å²	140.1	73%	0.728	72%	0.715	S	S	*	*			trans	-75.1	104	168.1	-66	168.1	0	0	0	107.2	T320	T320-I322 VanDerWaalsContact C-N 3.29Å; T320-I322 HydrophobicContact CG2-CD1 3.9Å; T320-I322 HydrophobicContact CG2-CG1 3.72Å; T320-I322 PolarHBondContact O-N 3.47Å; T320-I322 VanDerWaalsContact O-N 3.12Å
323	G	30	Very low	37.1	Very low	74 Å²	74	133.3 Å²	133.3	76%	0.763	70%	0.696	S	S	*	*			trans	-123.1	49.7	176.4	0	0	0	0	0	111.3	R321	R321-G323 PolarHBondContact O-N 3.03Å
324	R	31.7	Very low	37.9	Very low	184 Å²	184	133.2 Å²	133.2	69%	0.694	69%	0.69	S	S	*	*			trans	-149	149.1	173.7	-100.6	-172.1	174.4	-177.2	-0.4	109.9	N90	N90-R324 PolarHBondContact OD1-NH1 2.84Å; N90-R324 PolarHBondContact OD1-NH2 2.99Å
325	S	31	Very low	39.1	Very low	57 Å²	57	129.4 Å²	129.4	40%	0.399	67%	0.674	S	S	.	*			trans	65.9	103.1	172.2	-159.9	0	0	0	0	117.7	E328	S325-E328 WeakPolarHBondContact CB-OE2 3.26Å; S325-E328 WeakPolarHBondContact OG-CB 3.34Å; S325-E328 WeakPolarHBondContact OG-CG 3.29Å; S325-E328 PolarHBondContact OG-OE2 3.36Å
326	T	34.8	Very low	40.2	Very low	129 Å²	129	125.2 Å²	125.2	79%	0.791	66%	0.66	S	S	*	*	S	Bend	trans	-133.6	27	149.6	62.5	0	0	0	0	112.1
327	N	41.7	Very low	42	Very low	136 Å²	136	123 Å²	123	73%	0.727	65%	0.647	S	S	*	*	S	Bend	trans	-119.2	-12.4	174.6	-77.5	-4.3	0	0	0	113.5
328	E	37.8	Very low	43.7	Very low	113 Å²	113	121 Å²	121	53%	0.528	63%	0.629	S	S	.	*	H	α-helix	trans	-87	-26.2	-177.1	-63.1	172.8	153.2	0	0	113.2	S325 Q331 I332	S325-E328 WeakPolarHBondContact CB-OE2 3.26Å; S325-E328 WeakPolarHBondContact OG-CB 3.34Å; S325-E328 WeakPolarHBondContact OG-CG 3.29Å; S325-E328 PolarHBondContact OG-OE2 3.36Å; E328-Q331 PolarHBondContact O-N 2.96Å; E328-I332 HydrophobicContact CB-CD1 4.4Å; E328-I332 VanDerWaalsContact O-CG1 3.32Å; E328-I332 WeakPolarHBondContact O-CG1 3.3Å; E328-I332 PolarHBondContact O-N 3.13Å
329	L	38.3	Very low	45.7	Very low	127 Å²	127	114 Å²	114	67%	0.665	61%	0.61	S	S	*	*	H	α-helix	trans	-58	-45.4	178.6	-108.9	77.2	0	0	0	113.6	I332 V333	L329-I332 PolarHBondContact O-N 3.28Å; L329-V333 WeakPolarHBondContact O-CG2 3.32Å; L329-V333 PolarHBondContact O-N 3.04Å; L329-V333 VanDerWaalsContact O-N 3.11Å
330	P	46.9	Very low	47.5	Very low	74 Å²	74	114.3 Å²	114.3	48%	0.481	60%	0.603	S	S	.	*	H	α-helix	trans	-57.8	-48.5	173.3	-24.2	34.2	0	0	0	111.7	I332 V333 D334	P330-I332 VanDerWaalsContact C-N 3.32Å; P330-I332 PolarHBondContact O-N 3.49Å; P330-V333 WeakPolarHBondContact O-CA 3.41Å; P330-V333 WeakPolarHBondContact O-CB 3.48Å; P330-V333 PolarHBondContact O-N 3.15Å; P330-D334 PolarHBondContact O-N 3.41Å
331	Q	47.6	Very low	49.7	Very low	135 Å²	135	114.4 Å²	114.4	63%	0.631	60%	0.596	S	S	*	*	H	α-helix	trans	-64.4	-34.4	-175.8	-144.8	178.3	21.7	0	0	112.9	E328 S335	E328-Q331 PolarHBondContact O-N 2.96Å; Q331-S335 VanDerWaalsContact O-CB 3.31Å; Q331-S335 WeakPolarHBondContact O-CB 3.39Å; Q331-S335 PolarHBondContact O-N 3.16Å; Q331-S335 PolarHBondContact O-OG 3.12Å
332	I	44.2	Very low	51.9	Low	104 Å²	104	106.9 Å²	106.9	53%	0.533	57%	0.574	S	S	.	*	H	α-helix	trans	-69.3	-39.9	173	-68	165.1	0	0	0	111.1	E328 L329 P330 M336	E328-I332 HydrophobicContact CB-CD1 4.4Å; E328-I332 VanDerWaalsContact O-CG1 3.32Å; E328-I332 WeakPolarHBondContact O-CG1 3.3Å; E328-I332 PolarHBondContact O-N 3.13Å; L329-I332 PolarHBondContact O-N 3.28Å; P330-I332 VanDerWaalsContact C-N 3.32Å; P330-I332 PolarHBondContact O-N 3.49Å; I332-M336 VanDerWaalsContact O-CB 3.25Å; I332-M336 WeakPolarHBondContact O-CB 3.5Å; I332-M336 PolarHBondContact O-N 3.37Å
333	V	60	Low	53.8	Low	79 Å²	79	109 Å²	109	48%	0.479	57%	0.573	S	S	.	*	H	α-helix	trans	-66.2	-43.3	176	170.8	0	0	0	0	111	L329 P330 M336 N337	L329-V333 WeakPolarHBondContact O-CG2 3.32Å; L329-V333 PolarHBondContact O-N 3.04Å; L329-V333 VanDerWaalsContact O-N 3.11Å; P330-V333 WeakPolarHBondContact O-CA 3.41Å; P330-V333 WeakPolarHBondContact O-CB 3.48Å; P330-V333 PolarHBondContact O-N 3.15Å; V333-M336 PolarHBondContact O-N 2.84Å; V333-N337 WeakPolarHBondContact O-CB 3.21Å; V333-N337 PolarHBondContact O-N 3.39Å
334	D	60.6	Low	55.9	Low	100 Å²	100	108.4 Å²	108.4	54%	0.535	56%	0.557	S	S	.	*	H	α-helix	trans	-62	-47.8	176.1	-67.1	-36	0	0	0	111.1	P330 M336 N337 E338	P330-D334 PolarHBondContact O-N 3.41Å; D334-M336 VanDerWaalsContact C-N 3.32Å; D334-M336 PolarHBondContact O-N 2.78Å; D334-N337 WeakPolarHBondContact O-CB 3.34Å; D334-N337 PolarHBondContact O-N 2.84Å; D334-N337 VanDerWaalsContact O-N 3.13Å; D334-E338 PolarHBondContact O-N 3.04Å
335	S	58.4	Low	57.9	Low	61 Å²	61	102.8 Å²	102.8	43%	0.427	54%	0.539	S	S	.	.	H	α-helix	trans	-58.9	-41.4	175	-58.5	0	0	0	0	112.2	Q331 N337 E338 V339	Q331-S335 VanDerWaalsContact O-CB 3.31Å; Q331-S335 WeakPolarHBondContact O-CB 3.39Å; Q331-S335 PolarHBondContact O-N 3.16Å; Q331-S335 PolarHBondContact O-OG 3.12Å; S335-N337 VanDerWaalsContact C-N 3.33Å; S335-E338 PolarHBondContact O-N 3.45Å; S335-V339 WeakPolarHBondContact O-CG2 3.29Å; S335-V339 PolarHBondContact O-N 3.17Å
336	M	62.4	Low	60.1	Low	112 Å²	112	105.8 Å²	105.8	55%	0.552	55%	0.55	S	S	*	.	H	α-helix	trans	-68.1	-34	177.7	-175.1	173	56.2	0	0	112	I332 V333 D334 Q340	I332-M336 VanDerWaalsContact O-CB 3.25Å; I332-M336 WeakPolarHBondContact O-CB 3.5Å; I332-M336 PolarHBondContact O-N 3.37Å; V333-M336 PolarHBondContact O-N 2.84Å; D334-M336 VanDerWaalsContact C-N 3.32Å; D334-M336 PolarHBondContact O-N 2.78Å; M336-Q340 WeakPolarHBondContact O-CG 3.4Å; M336-Q340 PolarHBondContact O-N 2.97Å
337	N	69.9	Low	62	Low	103 Å²	103	104.9 Å²	104.9	55%	0.551	54%	0.54	S	S	*	.	H	α-helix	trans	-71.7	-38.3	175.6	-155.4	16.9	0	0	0	111.4	V333 D334 S335 Q340 Q341	V333-N337 WeakPolarHBondContact O-CB 3.21Å; V333-N337 PolarHBondContact O-N 3.39Å; D334-N337 WeakPolarHBondContact O-CB 3.34Å; D334-N337 PolarHBondContact O-N 2.84Å; D334-N337 VanDerWaalsContact O-N 3.13Å; S335-N337 VanDerWaalsContact C-N 3.33Å; N337-Q340 WeakPolarHBondContact O-CB 3.44Å; N337-Q340 PolarHBondContact O-N 3.11Å; N337-Q341 WeakPolarHBondContact O-CB 3.47Å; N337-Q341 PolarHBondContact O-N 3.13Å
338	E	70.5	Confident	63.6	Low	89 Å²	89	104.2 Å²	104.2	42%	0.416	53%	0.534	S	S	.	.	H	α-helix	trans	-64.4	-43.3	172.8	-167.4	174.3	-151.6	0	0	111.5	D334 S335 Q340 Q341 L342	D334-E338 PolarHBondContact O-N 3.04Å; S335-E338 PolarHBondContact O-N 3.45Å; E338-Q340 PolarHBondContact O-N 2.81Å; E338-Q341 WeakPolarHBondContact O-CB 3.39Å; E338-Q341 PolarHBondContact O-N 3.34Å; E338-Q341 VanDerWaalsContact O-N 3.13Å; E338-L342 HydrophobicContact CG-CD1 4.38Å; E338-L342 WeakPolarHBondContact O-CG 3.27Å; E338-L342 PolarHBondContact O-N 3.49Å
339	V	70.3	Confident	64.9	Low	83 Å²	83	100.7 Å²	100.7	50%	0.503	52%	0.518	S	S	.	.	H	α-helix	trans	-63.4	-38.7	174.1	170.2	0	0	0	0	112.3	S335 Q341 R343	S335-V339 WeakPolarHBondContact O-CG2 3.29Å; S335-V339 PolarHBondContact O-N 3.17Å; V339-Q341 VanDerWaalsContact C-N 3.34Å; V339-R343 WeakPolarHBondContact O-CB 3.36Å; V339-R343 PolarHBondContact O-N 3.2Å
340	Q	72.6	Confident	66.4	Low	129 Å²	129	96.9 Å²	96.9	60%	0.603	50%	0.502	S	S	*	.	H	α-helix	trans	-60.7	-44.3	171.2	-72.6	-95.2	3	0	0	111	M336 N337 E338 R343 S344	M336-Q340 WeakPolarHBondContact O-CG 3.4Å; M336-Q340 PolarHBondContact O-N 2.97Å; N337-Q340 WeakPolarHBondContact O-CB 3.44Å; N337-Q340 PolarHBondContact O-N 3.11Å; E338-Q340 PolarHBondContact O-N 2.81Å; Q340-R343 PolarHBondContact O-N 3.26Å; Q340-S344 PolarHBondContact O-N 2.94Å
341	Q	74.6	Confident	67.5	Low	118 Å²	118	100.2 Å²	100.2	55%	0.551	51%	0.509	S	S	*	.	H	α-helix	trans	-66.3	-43.9	-179.5	-163.1	168.4	83.1	0	0	111.6	N337 E338 V339 S344 Q345	N337-Q341 WeakPolarHBondContact O-CB 3.47Å; N337-Q341 PolarHBondContact O-N 3.13Å; E338-Q341 WeakPolarHBondContact O-CB 3.39Å; E338-Q341 PolarHBondContact O-N 3.34Å; E338-Q341 VanDerWaalsContact O-N 3.13Å; V339-Q341 VanDerWaalsContact C-N 3.34Å; Q341-S344 WeakPolarHBondContact O-CB 3.4Å; Q341-S344 PolarHBondContact O-N 2.89Å; Q341-S344 VanDerWaalsContact O-N 3.16Å; Q341-S344 PolarHBondContact O-OG 3.36Å; Q341-Q345 WeakPolarHBondContact O-CG 3.5Å; Q341-Q345 PolarHBondContact O-N 3.16Å
342	L	74.8	Confident	68.2	Low	95 Å²	95	97.2 Å²	97.2	50%	0.497	50%	0.497	S	S	.	.	H	α-helix	trans	-61.3	-42.7	173.5	-71.4	170	0	0	0	112.1	E338 S344 Q345 L346	E338-L342 HydrophobicContact CG-CD1 4.38Å; E338-L342 WeakPolarHBondContact O-CG 3.27Å; E338-L342 PolarHBondContact O-N 3.49Å; L342-S344 VanDerWaalsContact C-N 3.32Å; L342-S344 PolarHBondContact O-N 3.37Å; L342-Q345 PolarHBondContact O-N 3.43Å; L342-L346 WeakPolarHBondContact O-CB 3.48Å; L342-L346 PolarHBondContact O-N 2.86Å
343	R	71.3	Confident	69.2	Low	187 Å²	187	97.1 Å²	97.1	71%	0.706	50%	0.497	S	S	*	.	H	α-helix	trans	-60.5	-39	172.6	-82.5	-175.4	169.5	-161.9	-2.3	112.5	V339 Q340 L346 N347	V339-R343 WeakPolarHBondContact O-CB 3.36Å; V339-R343 PolarHBondContact O-N 3.2Å; Q340-R343 PolarHBondContact O-N 3.26Å; R343-L346 PolarHBondContact O-N 3.39Å; R343-N347 PolarHBondContact O-N 2.62Å
344	S	75.6	Confident	69.5	Low	61 Å²	61	100 Å²	100	43%	0.427	51%	0.505	S	S	.	.	H	α-helix	trans	-66.1	-38.9	176.8	81.8	0	0	0	0	112.3	Q340 Q341 L342 N347 M348	Q340-S344 PolarHBondContact O-N 2.94Å; Q341-S344 WeakPolarHBondContact O-CB 3.4Å; Q341-S344 PolarHBondContact O-N 2.89Å; Q341-S344 VanDerWaalsContact O-N 3.16Å; Q341-S344 PolarHBondContact O-OG 3.36Å; L342-S344 VanDerWaalsContact C-N 3.32Å; L342-S344 PolarHBondContact O-N 3.37Å; S344-N347 PolarHBondContact O-N 3.22Å; S344-M348 PolarHBondContact O-N 3.31Å
345	Q	73.2	Confident	69.5	Low	67 Å²	67	99.4 Å²	99.4	31%	0.313	51%	0.509	S	S	.	.	H	α-helix	trans	-67.3	-42.5	175.5	-69.9	177.4	1.4	0	0	111.5	Q341 L342 N347 M348 L349	Q341-Q345 WeakPolarHBondContact O-CG 3.5Å; Q341-Q345 PolarHBondContact O-N 3.16Å; L342-Q345 PolarHBondContact O-N 3.43Å; Q345-N347 PolarHBondContact O-N 3.21Å; Q345-M348 PolarHBondContact O-N 2.89Å; Q345-L349 PolarHBondContact O-N 3.48Å
346	L	77	Confident	69.1	Low	120 Å²	120	98.1 Å²	98.1	63%	0.628	50%	0.497	S	S	*	.	H	α-helix	trans	-61.8	-42.5	175.9	-170.4	68.8	0	0	0	111.5	L342 R343 M348 L349 S350	L342-L346 WeakPolarHBondContact O-CB 3.48Å; L342-L346 PolarHBondContact O-N 2.86Å; R343-L346 PolarHBondContact O-N 3.39Å; L346-M348 VanDerWaalsContact C-N 3.34Å; L346-M348 PolarHBondContact O-N 3.28Å; L346-L349 PolarHBondContact O-N 3.22Å; L346-S350 WeakPolarHBondContact O-CB 3.2Å; L346-S350 PolarHBondContact O-N 3.12Å
347	N	75.4	Confident	68.5	Low	109 Å²	109	96.6 Å²	96.6	58%	0.583	51%	0.51	S	S	*	.	H	α-helix	trans	-64.7	-34.4	175.1	-106.4	-22.5	0	0	0	113	R343 S344 Q345 K351	R343-N347 PolarHBondContact O-N 2.62Å; S344-N347 PolarHBondContact O-N 3.22Å; Q345-N347 PolarHBondContact O-N 3.21Å; N347-K351 WeakPolarHBondContact O-CB 3.31Å; N347-K351 VanDerWaalsContact O-CG 3.31Å; N347-K351 WeakPolarHBondContact O-CG 3.48Å; N347-K351 PolarHBondContact O-N 3.27Å; N347-K351 VanDerWaalsContact O-N 3.13Å
348	M	74.4	Confident	67.8	Low	122 Å²	122	96.8 Å²	96.8	60%	0.601	52%	0.519	S	S	*	.	H	α-helix	trans	-67.5	-42.8	171	-91.6	-162.4	-65.8	0	0	112.2	S344 Q345 L346 K351 L352	S344-M348 PolarHBondContact O-N 3.31Å; Q345-M348 PolarHBondContact O-N 2.89Å; L346-M348 VanDerWaalsContact C-N 3.34Å; L346-M348 PolarHBondContact O-N 3.28Å; M348-K351 PolarHBondContact O-N 3.23Å; M348-L352 WeakPolarHBondContact O-CB 3.39Å; M348-L352 WeakPolarHBondContact O-CG 3.33Å; M348-L352 PolarHBondContact O-N 3.44Å
349	L	65.4	Low	67.2	Low	39 Å²	39	95.7 Å²	95.7	20%	0.204	52%	0.516	C	S	.	.	H	α-helix	trans	-65.5	-43.4	178.1	-75.6	168.7	0	0	0	111.7	Q345 L346 L352 I353 T370	Q345-L349 PolarHBondContact O-N 3.48Å; L346-L349 PolarHBondContact O-N 3.22Å; L349-L352 PolarHBondContact O-N 3.24Å; L349-I353 WeakPolarHBondContact O-CB 3.3Å; L349-I353 WeakPolarHBondContact O-CD1 3.36Å; L349-I353 VanDerWaalsContact O-CG1 3.24Å; L349-I353 WeakPolarHBondContact O-CG1 3.25Å; L349-I353 PolarHBondContact O-N 3.2Å; L349-T370 HydrophobicContact CD1-CG2 4.33Å; L349-T370 HydrophobicContact CD2-CG2 4.41Å
350	S	69.2	Low	66.6	Low	47 Å²	47	96.6 Å²	96.6	33%	0.329	52%	0.524	S	S	.	.	H	α-helix	trans	-59.5	-49.5	175.3	-148.2	0	0	0	0	110.6	L346 L352 I353 E354	L346-S350 WeakPolarHBondContact O-CB 3.2Å; L346-S350 PolarHBondContact O-N 3.12Å; S350-L352 VanDerWaalsContact C-N 3.33Å; S350-L352 PolarHBondContact O-N 2.87Å; S350-I353 PolarHBondContact O-N 3.03Å; S350-I353 VanDerWaalsContact O-N 3.16Å; S350-E354 WeakPolarHBondContact CB-OE1 3.31Å; S350-E354 VanDerWaalsContact O-CB 3.32Å; S350-E354 WeakPolarHBondContact O-CB 3.24Å; S350-E354 VanDerWaalsContact O-CG 3.24Å; S350-E354 WeakPolarHBondContact O-CG 3.34Å; S350-E354 PolarHBondContact O-N 3.32Å; S350-E354 PolarHBondContact OG-OE1 2.86Å
351	K	70.8	Confident	66.1	Low	144 Å²	144	95.6 Å²	95.6	63%	0.626	53%	0.526	S	S	*	.	H	α-helix	trans	-59.7	-38.3	175.2	-75	-179.7	178.5	-173.9	0	113.5	N347 M348 S355	N347-K351 WeakPolarHBondContact O-CB 3.31Å; N347-K351 VanDerWaalsContact O-CG 3.31Å; N347-K351 WeakPolarHBondContact O-CG 3.48Å; N347-K351 PolarHBondContact O-N 3.27Å; N347-K351 VanDerWaalsContact O-N 3.13Å; M348-K351 PolarHBondContact O-N 3.23Å; K351-S355 WeakPolarHBondContact O-CB 3.31Å; K351-S355 PolarHBondContact O-N 2.98Å; K351-S355 PolarHBondContact O-OG 2.75Å
352	L	62.1	Low	65.3	Low	73 Å²	73	97.6 Å²	97.6	38%	0.382	53%	0.529	S	S	.	.	H	α-helix	trans	-66	-44.2	175.2	-83.6	162.1	0	0	0	111.7	M348 L349 S350 S355 D356 A366	M348-L352 WeakPolarHBondContact O-CB 3.39Å; M348-L352 WeakPolarHBondContact O-CG 3.33Å; M348-L352 PolarHBondContact O-N 3.44Å; L349-L352 PolarHBondContact O-N 3.24Å; S350-L352 VanDerWaalsContact C-N 3.33Å; S350-L352 PolarHBondContact O-N 2.87Å; L352-S355 PolarHBondContact O-N 3.49Å; L352-S355 PolarHBondContact O-OG 3.31Å; L352-D356 WeakPolarHBondContact O-CB 3.5Å; L352-D356 PolarHBondContact O-N 2.95Å; L352-A366 HydrophobicContact CD1-CB 4.36Å
353	I	63.9	Low	64.7	Low	101 Å²	101	94.8 Å²	94.8	52%	0.518	52%	0.516	S	S	.	.	H	α-helix	trans	-67.3	-39.1	178.5	-67.5	163.1	0	0	0	111.4	L349 S350 T363	L349-I353 WeakPolarHBondContact O-CB 3.3Å; L349-I353 WeakPolarHBondContact O-CD1 3.36Å; L349-I353 VanDerWaalsContact O-CG1 3.24Å; L349-I353 WeakPolarHBondContact O-CG1 3.25Å; L349-I353 PolarHBondContact O-N 3.2Å; S350-I353 PolarHBondContact O-N 3.03Å; S350-I353 VanDerWaalsContact O-N 3.16Å; I353-T363 HydrophobicContact CG1-CG2 3.98Å
354	E	66.5	Low	64.2	Low	141 Å²	141	88.1 Å²	88.1	66%	0.659	50%	0.501	S	S	*	.	H	α-helix	trans	-72.2	-34	177	-71.2	160.2	-138.5	0	0	112.8	S350	S350-E354 WeakPolarHBondContact CB-OE1 3.31Å; S350-E354 VanDerWaalsContact O-CB 3.32Å; S350-E354 WeakPolarHBondContact O-CB 3.24Å; S350-E354 VanDerWaalsContact O-CG 3.24Å; S350-E354 WeakPolarHBondContact O-CG 3.34Å; S350-E354 PolarHBondContact O-N 3.32Å; S350-E354 PolarHBondContact OG-OE1 2.86Å
355	S	61.5	Low	63.6	Low	87 Å²	87	88.1 Å²	88.1	61%	0.608	50%	0.5	S	S	*	.	H	α-helix	trans	-87.4	-32.3	-178	72.5	0	0	0	0	114.9	K351 L352	K351-S355 WeakPolarHBondContact O-CB 3.31Å; K351-S355 PolarHBondContact O-N 2.98Å; K351-S355 PolarHBondContact O-OG 2.75Å; L352-S355 PolarHBondContact O-N 3.49Å; L352-S355 PolarHBondContact O-OG 3.31Å
356	D	48.9	Very low	63	Low	34 Å²	34	86 Å²	86	18%	0.182	50%	0.495	C	S	.	.			trans	-104.3	50.2	-177.5	-104.6	-21.3	0	0	0	111.1	L352 S358 N359 R362	L352-D356 WeakPolarHBondContact O-CB 3.5Å; L352-D356 PolarHBondContact O-N 2.95Å; D356-S358 PolarHBondContact O-N 2.86Å; D356-N359 PolarHBondContact O-N 3.27Å; D356-R362 IonicContact OD1-NH1 3.72Å; D356-R362 WeakPolarHBondContact OD2-CD 3.41Å; D356-R362 IonicContact OD2-NH1 3.97Å; D356-R362 PolarHBondContact OD2-NH1 3.42Å
357	G	51.6	Low	62.2	Low	79 Å²	79	84.9 Å²	84.9	81%	0.814	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	17.1	175.8	0	0	0	0	0	116.1
358	S	54.5	Low	61.6	Low	107 Å²	107	89.1 Å²	89.1	75%	0.748	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-140.5	-6.3	-176.1	64.3	0	0	0	0	115.8	D356	D356-S358 PolarHBondContact O-N 2.86Å
359	N	57.3	Low	61	Low	66 Å²	66	88.7 Å²	88.7	35%	0.353	49%	0.493	S	S	.	.			trans	-132.9	86.8	-172.6	-158	-35.8	0	0	0	114.3	D356 V361 R362 T363	D356-N359 PolarHBondContact O-N 3.27Å; N359-V361 PolarHBondContact O-N 2.88Å; N359-V361 VanDerWaalsContact O-N 3.08Å; N359-V361 WeakPolarHBondContact OD1-CB 3.15Å; N359-V361 PolarHBondContact OD1-N 3.48Å; N359-R362 PolarHBondContact O-N 3.43Å; N359-T363 PolarHBondContact O-OG1 3.32Å
360	P	58.6	Low	60.8	Low	102 Å²	102	88.8 Å²	88.8	66%	0.662	50%	0.495	S	S	*	.	H	α-helix	trans	-62	-21.8	-177.1	25.3	-34.7	0	0	0	113.7	A364	P360-A364 VanDerWaalsContact O-CB 3.27Å; P360-A364 WeakPolarHBondContact O-CB 3.43Å; P360-A364 PolarHBondContact O-N 2.9Å
361	V	61.2	Low	60.2	Low	109 Å²	109	89.4 Å²	89.4	66%	0.661	50%	0.503	S	S	*	.	H	α-helix	trans	-71	-37.6	-180	-173.9	0	0	0	0	111.3	N359 S365	N359-V361 PolarHBondContact O-N 2.88Å; N359-V361 VanDerWaalsContact O-N 3.08Å; N359-V361 WeakPolarHBondContact OD1-CB 3.15Å; N359-V361 PolarHBondContact OD1-N 3.48Å; V361-S365 WeakPolarHBondContact O-CB 3.42Å; V361-S365 PolarHBondContact O-N 3.48Å
362	R	58.9	Low	59.6	Low	160 Å²	160	85.1 Å²	85.1	60%	0.604	49%	0.494	S	S	*	.	H	α-helix	trans	-68.7	-46.6	174.9	-88.7	-172.5	171.6	-178	-1.1	111.7	D356 N359 A364 S365 A366	D356-R362 IonicContact OD1-NH1 3.72Å; D356-R362 WeakPolarHBondContact OD2-CD 3.41Å; D356-R362 IonicContact OD2-NH1 3.97Å; D356-R362 PolarHBondContact OD2-NH1 3.42Å; N359-R362 PolarHBondContact O-N 3.43Å; R362-A364 VanDerWaalsContact C-N 3.33Å; R362-A364 PolarHBondContact O-N 3.21Å; R362-S365 PolarHBondContact O-N 2.71Å; R362-S365 VanDerWaalsContact O-N 3.11Å; R362-A366 PolarHBondContact O-N 3.03Å
363	T	61.7	Low	59.3	Low	36 Å²	36	87.5 Å²	87.5	22%	0.221	50%	0.502	C	S	.	.	H	α-helix	trans	-60.2	-43.7	178.9	-40.3	0	0	0	0	111.1	I353 N359 S365 A366 L367	I353-T363 HydrophobicContact CG1-CG2 3.98Å; N359-T363 PolarHBondContact O-OG1 3.32Å; T363-S365 PolarHBondContact O-N 2.97Å; T363-A366 PolarHBondContact O-N 3.11Å; T363-L367 HydrophobicContact CG2-CD1 4.39Å; T363-L367 WeakPolarHBondContact O-CB 3.5Å; T363-L367 PolarHBondContact O-N 2.92Å
364	A	59.7	Low	58.8	Low	47 Å²	47	85.4 Å²	85.4	39%	0.388	50%	0.496	S	S	.	.	H	α-helix	trans	-64.2	-36.7	174.5	0	0	0	0	0	113.2	P360 R362 R368	P360-A364 VanDerWaalsContact O-CB 3.27Å; P360-A364 WeakPolarHBondContact O-CB 3.43Å; P360-A364 PolarHBondContact O-N 2.9Å; R362-A364 VanDerWaalsContact C-N 3.33Å; R362-A364 PolarHBondContact O-N 3.21Å; A364-R368 WeakPolarHBondContact O-CG 3.42Å; A364-R368 PolarHBondContact O-N 2.87Å
365	S	64.2	Low	58	Low	60 Å²	60	82.8 Å²	82.8	42%	0.42	49%	0.49	S	S	.	.	H	α-helix	trans	-70.9	-40.3	177.2	-165	0	0	0	0	112.1	V361 R362 T363 R368 Q369	V361-S365 WeakPolarHBondContact O-CB 3.42Å; V361-S365 PolarHBondContact O-N 3.48Å; R362-S365 PolarHBondContact O-N 2.71Å; R362-S365 VanDerWaalsContact O-N 3.11Å; T363-S365 PolarHBondContact O-N 2.97Å; S365-R368 PolarHBondContact O-N 3.49Å; S365-Q369 WeakPolarHBondContact O-CG 3.4Å; S365-Q369 PolarHBondContact O-N 2.85Å
366	A	60.2	Low	57.5	Low	24 Å²	24	85.6 Å²	85.6	20%	0.198	49%	0.493	C	S	.	.	H	α-helix	trans	-62.5	-44.8	173.2	0	0	0	0	0	111.8	L352 R362 T363 Q369 T370	L352-A366 HydrophobicContact CD1-CB 4.36Å; R362-A366 PolarHBondContact O-N 3.03Å; T363-A366 PolarHBondContact O-N 3.11Å; A366-Q369 PolarHBondContact O-N 2.86Å; A366-T370 PolarHBondContact O-N 2.9Å; A366-T370 PolarHBondContact O-OG1 3.09Å; A366-T370 VanDerWaalsContact O-OG1 3.09Å
367	L	60	Low	58.1	Low	95 Å²	95	86.6 Å²	86.6	50%	0.497	50%	0.501	S	S	.	.	H	α-helix	trans	-60.2	-42.3	173.6	-87.5	159.3	0	0	0	112.8	T363 Q369 T370 A371	T363-L367 HydrophobicContact CG2-CD1 4.39Å; T363-L367 WeakPolarHBondContact O-CB 3.5Å; T363-L367 PolarHBondContact O-N 2.92Å; L367-Q369 VanDerWaalsContact C-N 3.33Å; L367-Q369 PolarHBondContact O-N 2.71Å; L367-T370 WeakPolarHBondContact CA-OG1 3.43Å; L367-T370 PolarHBondContact O-N 2.91Å; L367-T370 PolarHBondContact O-OG1 3.31Å; L367-A371 VanDerWaalsContact O-CB 3.3Å; L367-A371 WeakPolarHBondContact O-CB 3.49Å; L367-A371 PolarHBondContact O-N 3.19Å
368	R	62.7	Low	58.5	Low	199 Å²	199	90.4 Å²	90.4	75%	0.751	50%	0.497	S	S	*	.	H	α-helix	trans	-63.8	-37.7	174.7	-76.8	-179.6	-175.4	-137.6	1.8	112.1	A364 S365 A372	A364-R368 WeakPolarHBondContact O-CG 3.42Å; A364-R368 PolarHBondContact O-N 2.87Å; S365-R368 PolarHBondContact O-N 3.49Å; R368-A372 VanDerWaalsContact O-CB 3.24Å; R368-A372 WeakPolarHBondContact O-CB 3.47Å; R368-A372 PolarHBondContact O-N 3.41Å
369	Q	63	Low	58.9	Low	112 Å²	112	91.7 Å²	91.7	52%	0.523	49%	0.49	S	S	.	.	H	α-helix	trans	-70.9	-35.9	177.2	-72.6	-175.8	33.6	0	0	113.2	S365 A366 L367 K373	S365-Q369 WeakPolarHBondContact O-CG 3.4Å; S365-Q369 PolarHBondContact O-N 2.85Å; A366-Q369 PolarHBondContact O-N 2.86Å; L367-Q369 VanDerWaalsContact C-N 3.33Å; L367-Q369 PolarHBondContact O-N 2.71Å; Q369-K373 VanDerWaalsContact O-CG 3.28Å; Q369-K373 WeakPolarHBondContact O-CG 3.47Å; Q369-K373 PolarHBondContact O-N 3.13Å; Q369-K373 VanDerWaalsContact O-N 3.16Å
370	T	61.2	Low	59.5	Low	42 Å²	42	88.8 Å²	88.8	26%	0.258	48%	0.475	S	S	.	.	H	α-helix	trans	-73	-39	173.7	41.5	0	0	0	0	112	L349 A366 L367 K373 S374	L349-T370 HydrophobicContact CD1-CG2 4.33Å; L349-T370 HydrophobicContact CD2-CG2 4.41Å; A366-T370 PolarHBondContact O-N 2.9Å; A366-T370 PolarHBondContact O-OG1 3.09Å; A366-T370 VanDerWaalsContact O-OG1 3.09Å; L367-T370 WeakPolarHBondContact CA-OG1 3.43Å; L367-T370 PolarHBondContact O-N 2.91Å; L367-T370 PolarHBondContact O-OG1 3.31Å; T370-K373 PolarHBondContact O-N 3.34Å; T370-S374 PolarHBondContact O-N 2.8Å
371	A	56.3	Low	60	Low	59 Å²	59	90.9 Å²	90.9	49%	0.488	47%	0.471	S	S	.	.	H	α-helix	trans	-60.8	-44.9	172.2	0	0	0	0	0	112.4	L367 K373 S374 T375	L367-A371 VanDerWaalsContact O-CB 3.3Å; L367-A371 WeakPolarHBondContact O-CB 3.49Å; L367-A371 PolarHBondContact O-N 3.19Å; A371-K373 VanDerWaalsContact C-N 3.29Å; A371-K373 PolarHBondContact O-N 3.4Å; A371-S374 WeakPolarHBondContact O-CB 3.4Å; A371-S374 PolarHBondContact O-N 3.02Å; A371-T375 PolarHBondContact O-N 3.04Å; A371-T375 PolarHBondContact O-OG1 3.06Å
372	A	58.3	Low	60.5	Low	54 Å²	54	90.2 Å²	90.2	45%	0.446	46%	0.463	S	S	.	.	H	α-helix	trans	-66.4	-27.8	177.6	0	0	0	0	0	113.7	R368 T375	R368-A372 VanDerWaalsContact O-CB 3.24Å; R368-A372 WeakPolarHBondContact O-CB 3.47Å; R368-A372 PolarHBondContact O-N 3.41Å; A372-T375 WeakPolarHBondContact CA-OG1 3.36Å; A372-T375 PolarHBondContact O-OG1 3.37Å
373	K	56.3	Low	61.3	Low	123 Å²	123	87.3 Å²	87.3	54%	0.535	46%	0.459	S	S	.	.	H	α-helix	trans	-77	-37.4	171.9	-74.4	172	-177.8	177.6	0	112	Q369 T370 A371 T375 Q376 T377	Q369-K373 VanDerWaalsContact O-CG 3.28Å; Q369-K373 WeakPolarHBondContact O-CG 3.47Å; Q369-K373 PolarHBondContact O-N 3.13Å; Q369-K373 VanDerWaalsContact O-N 3.16Å; T370-K373 PolarHBondContact O-N 3.34Å; A371-K373 VanDerWaalsContact C-N 3.29Å; A371-K373 PolarHBondContact O-N 3.4Å; K373-T375 VanDerWaalsContact C-N 3.25Å; K373-T375 PolarHBondContact O-N 3.16Å; K373-Q376 WeakPolarHBondContact O-CB 3.49Å; K373-Q376 PolarHBondContact O-N 3.09Å; K373-T377 PolarHBondContact O-N 3.05Å
374	S	52.4	Low	61.9	Low	58 Å²	58	88.9 Å²	88.9	41%	0.406	47%	0.466	S	S	.	.	H	α-helix	trans	-57.3	-38.7	173.5	-175.1	0	0	0	0	112	T370 A371 Q376 T377 G380	T370-S374 PolarHBondContact O-N 2.8Å; A371-S374 WeakPolarHBondContact O-CB 3.4Å; A371-S374 PolarHBondContact O-N 3.02Å; S374-Q376 PolarHBondContact O-N 3.12Å; S374-T377 PolarHBondContact O-N 2.91Å; S374-G380 WeakPolarHBondContact O-CA 3.45Å
375	T	50.3	Low	62.8	Low	85 Å²	85	95.5 Å²	95.5	52%	0.521	48%	0.481	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-8.7	173	44.2	0	0	0	0	115.5	A371 A372 K373	A371-T375 PolarHBondContact O-N 3.04Å; A371-T375 PolarHBondContact O-OG1 3.06Å; A372-T375 WeakPolarHBondContact CA-OG1 3.36Å; A372-T375 PolarHBondContact O-OG1 3.37Å; K373-T375 VanDerWaalsContact C-N 3.25Å; K373-T375 PolarHBondContact O-N 3.16Å
376	Q	51.2	Low	63.5	Low	147 Å²	147	97.5 Å²	97.5	69%	0.687	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.3	-14	172.2	-70.4	-174.7	-13.6	0	0	113.3	K373 S374	K373-Q376 WeakPolarHBondContact O-CB 3.49Å; K373-Q376 PolarHBondContact O-N 3.09Å; S374-Q376 PolarHBondContact O-N 3.12Å
377	T	60.9	Low	64.4	Low	55 Å²	55	98.5 Å²	98.5	34%	0.337	49%	0.492	S	S	.	.	S	Bend	trans	-74.3	153.5	172.9	-42	0	0	0	0	110.2	K373 S374 F379 G380 Y381	K373-T377 PolarHBondContact O-N 3.05Å; S374-T377 PolarHBondContact O-N 2.91Å; T377-F379 PolarHBondContact O-N 3.21Å; T377-G380 WeakPolarHBondContact O-CA 3.4Å; T377-G380 PolarHBondContact O-N 3.34Å; T377-Y381 WeakPolarHBondContact O-CD2 3.43Å; T377-Y381 PolarHBondContact O-N 3.41Å
378	E	60.4	Low	65.5	Low	158 Å²	158	100 Å²	100	74%	0.738	49%	0.494	S	S	*	.	H	α-helix	trans	-51.8	-40.1	175.7	-174.6	172	-175.7	0	0	112.4	G380 Y381 L382	E378-G380 VanDerWaalsContact C-N 3.3Å; E378-G380 PolarHBondContact O-N 2.99Å; E378-Y381 PolarHBondContact O-N 2.99Å; E378-L382 PolarHBondContact O-N 3Å
379	F	63.2	Low	66.6	Low	135 Å²	135	95.5 Å²	95.5	59%	0.592	48%	0.48	S	S	*	.	H	α-helix	trans	-59.5	-37	173.9	-158.5	-97.6	0	0	0	113.4	T377 L382 L383	T377-F379 PolarHBondContact O-N 3.21Å; F379-L382 PolarHBondContact O-N 2.92Å; F379-L383 HydrophobicContact CD1-CD1 3.78Å; F379-L383 HydrophobicContact CD1-CG 4.1Å; F379-L383 HydrophobicContact CE1-CD1 3.72Å; F379-L383 HydrophobicContact CE1-CD2 4.36Å; F379-L383 HydrophobicContact CE1-CG 4.01Å; F379-L383 WeakPolarHBondContact O-CG 3.49Å; F379-L383 PolarHBondContact O-N 3.41Å
380	G	68.2	Low	67.5	Low	4 Å²	4	92.1 Å²	92.1	4%	0.041	47%	0.469	C	S	.	.	H	α-helix	trans	-66.6	-39.9	175.9	0	0	0	0	0	112.9	S374 T377 E378 L383 D384	S374-G380 WeakPolarHBondContact O-CA 3.45Å; T377-G380 WeakPolarHBondContact O-CA 3.4Å; T377-G380 PolarHBondContact O-N 3.34Å; E378-G380 VanDerWaalsContact C-N 3.3Å; E378-G380 PolarHBondContact O-N 2.99Å; G380-L383 PolarHBondContact O-N 3.08Å; G380-D384 WeakPolarHBondContact O-CB 3.33Å; G380-D384 PolarHBondContact O-N 3.43Å
381	Y	69.2	Low	68.6	Low	146 Å²	146	95 Å²	95	57%	0.573	48%	0.483	S	S	*	.	H	α-helix	trans	-66.7	-37.3	173.1	-73.7	-76	0	0	0	112.4	T377 E378 R385	T377-Y381 WeakPolarHBondContact O-CD2 3.43Å; T377-Y381 PolarHBondContact O-N 3.41Å; E378-Y381 PolarHBondContact O-N 2.99Å; Y381-R385 VanDerWaalsContact O-CB 3.25Å; Y381-R385 WeakPolarHBondContact O-CB 3.44Å; Y381-R385 PolarHBondContact O-N 3.38Å
382	L	73.1	Confident	70	Confident	96 Å²	96	95.2 Å²	95.2	50%	0.503	49%	0.485	S	S	.	.	H	α-helix	trans	-65.4	-44.3	174.5	-73.1	169.9	0	0	0	111.8	E378 F379 R385 Q386	E378-L382 PolarHBondContact O-N 3Å; F379-L382 PolarHBondContact O-N 2.92Å; L382-R385 PolarHBondContact O-N 3.18Å; L382-Q386 WeakPolarHBondContact O-CB 3.31Å; L382-Q386 PolarHBondContact O-N 3.07Å
383	L	74	Confident	71.3	Confident	98 Å²	98	96.8 Å²	96.8	51%	0.513	48%	0.483	S	S	.	.	H	α-helix	trans	-62.4	-44.7	174.5	-74.5	177.6	0	0	0	112.4	F379 G380 Q386 A387	F379-L383 HydrophobicContact CD1-CD1 3.78Å; F379-L383 HydrophobicContact CD1-CG 4.1Å; F379-L383 HydrophobicContact CE1-CD1 3.72Å; F379-L383 HydrophobicContact CE1-CD2 4.36Å; F379-L383 HydrophobicContact CE1-CG 4.01Å; F379-L383 WeakPolarHBondContact O-CG 3.49Å; F379-L383 PolarHBondContact O-N 3.41Å; G380-L383 PolarHBondContact O-N 3.08Å; L383-Q386 PolarHBondContact O-N 3.17Å; L383-A387 VanDerWaalsContact O-CB 3.27Å; L383-A387 WeakPolarHBondContact O-CB 3.43Å; L383-A387 PolarHBondContact O-N 3.02Å
384	D	74.3	Confident	72.6	Confident	69 Å²	69	94.3 Å²	94.3	37%	0.369	48%	0.475	S	S	.	.	H	α-helix	trans	-64	-40.1	175.9	171.1	67.5	0	0	0	111.9	G380 A387 K388	G380-D384 WeakPolarHBondContact O-CB 3.33Å; G380-D384 PolarHBondContact O-N 3.43Å; D384-A387 PolarHBondContact O-N 3.33Å; D384-K388 VanDerWaalsContact CG-NZ 3.3Å; D384-K388 WeakPolarHBondContact O-CB 3.39Å; D384-K388 VanDerWaalsContact O-CG 3.28Å; D384-K388 WeakPolarHBondContact O-CG 3.44Å; D384-K388 PolarHBondContact O-N 3.29Å; D384-K388 WeakPolarHBondContact OD1-CE 3.47Å; D384-K388 IonicContact OD1-NZ 2.71Å; D384-K388 PolarHBondContact OD1-NZ 3.24Å; D384-K388 VanDerWaalsContact OD1-NZ 3.15Å; D384-K388 WeakPolarHBondContact OD2-CE 3.49Å; D384-K388 IonicContact OD2-NZ 3.74Å; D384-K388 PolarHBondContact OD2-NZ 2.9Å
385	R	78.8	Confident	74.2	Confident	186 Å²	186	95.3 Å²	95.3	70%	0.702	48%	0.482	S	S	*	.	H	α-helix	trans	-62.6	-43.5	174.5	-170.8	-179.8	-172.5	-166.6	2.2	111.7	Y381 L382 K389	Y381-R385 VanDerWaalsContact O-CB 3.25Å; Y381-R385 WeakPolarHBondContact O-CB 3.44Å; Y381-R385 PolarHBondContact O-N 3.38Å; L382-R385 PolarHBondContact O-N 3.18Å; R385-K389 WeakPolarHBondContact O-CB 3.24Å; R385-K389 PolarHBondContact O-N 2.88Å
386	Q	80.1	Confident	75.8	Confident	103 Å²	103	97.1 Å²	97.1	48%	0.481	48%	0.484	S	S	.	.	H	α-helix	trans	-68.6	-43	177.1	-176.3	61.4	11.4	0	0	111.5	L382 L383 K388 K389 S390	L382-Q386 WeakPolarHBondContact O-CB 3.31Å; L382-Q386 PolarHBondContact O-N 3.07Å; L383-Q386 PolarHBondContact O-N 3.17Å; Q386-K388 VanDerWaalsContact C-N 3.34Å; Q386-K388 PolarHBondContact O-N 2.93Å; Q386-K389 WeakPolarHBondContact O-CB 3.43Å; Q386-K389 PolarHBondContact O-N 3.4Å; Q386-K389 VanDerWaalsContact O-N 3.15Å; Q386-S390 PolarHBondContact O-N 3.34Å; Q386-S390 PolarHBondContact O-OG 3.41Å
387	A	77.7	Confident	77.6	Confident	45 Å²	45	94.4 Å²	94.4	37%	0.372	47%	0.474	S	S	.	.	H	α-helix	trans	-61.2	-40.9	175.5	0	0	0	0	0	112	L383 D384 N391	L383-A387 VanDerWaalsContact O-CB 3.27Å; L383-A387 WeakPolarHBondContact O-CB 3.43Å; L383-A387 PolarHBondContact O-N 3.02Å; D384-A387 PolarHBondContact O-N 3.33Å; A387-N391 VanDerWaalsContact O-CB 3.25Å; A387-N391 WeakPolarHBondContact O-CB 3.45Å; A387-N391 VanDerWaalsContact O-CG 3.23Å; A387-N391 PolarHBondContact O-N 3.05Å; A387-N391 PolarHBondContact O-ND2 3.4Å
388	K	84.6	Confident	78.8	Confident	125 Å²	125	100.3 Å²	100.3	54%	0.543	49%	0.49	S	S	.	.	H	α-helix	trans	-63.2	-39.9	173.1	-77.6	167.4	177.2	163.9	0	112.5	D384 Q386 N391 A392	D384-K388 VanDerWaalsContact CG-NZ 3.3Å; D384-K388 WeakPolarHBondContact O-CB 3.39Å; D384-K388 VanDerWaalsContact O-CG 3.28Å; D384-K388 WeakPolarHBondContact O-CG 3.44Å; D384-K388 PolarHBondContact O-N 3.29Å; D384-K388 WeakPolarHBondContact OD1-CE 3.47Å; D384-K388 IonicContact OD1-NZ 2.71Å; D384-K388 PolarHBondContact OD1-NZ 3.24Å; D384-K388 VanDerWaalsContact OD1-NZ 3.15Å; D384-K388 WeakPolarHBondContact OD2-CE 3.49Å; D384-K388 IonicContact OD2-NZ 3.74Å; D384-K388 PolarHBondContact OD2-NZ 2.9Å; Q386-K388 VanDerWaalsContact C-N 3.34Å; Q386-K388 PolarHBondContact O-N 2.93Å; K388-N391 PolarHBondContact O-N 3.06Å; K388-A392 PolarHBondContact O-N 3.17Å
389	K	85.6	Confident	80.2	Confident	105 Å²	105	94.4 Å²	94.4	46%	0.457	47%	0.471	S	S	.	.	H	α-helix	trans	-63.3	-51.9	175.7	-171.2	-179.9	-178.4	-176.9	0	111.4	R385 Q386 N391 A392 E393	R385-K389 WeakPolarHBondContact O-CB 3.24Å; R385-K389 PolarHBondContact O-N 2.88Å; Q386-K389 WeakPolarHBondContact O-CB 3.43Å; Q386-K389 PolarHBondContact O-N 3.4Å; Q386-K389 VanDerWaalsContact O-N 3.15Å; K389-N391 VanDerWaalsContact C-N 3.33Å; K389-N391 PolarHBondContact O-N 3.03Å; K389-A392 WeakPolarHBondContact O-CB 3.18Å; K389-A392 PolarHBondContact O-N 3.22Å; K389-E393 PolarHBondContact O-N 2.95Å
390	S	81.5	Confident	81.3	Confident	42 Å²	42	90.5 Å²	90.5	29%	0.294	46%	0.456	S	S	.	.	H	α-helix	trans	-62.3	-36.9	176.2	-60.8	0	0	0	0	112.5	Q386 E393 I394	Q386-S390 PolarHBondContact O-N 3.34Å; Q386-S390 PolarHBondContact O-OG 3.41Å; S390-E393 PolarHBondContact O-N 3.03Å; S390-I394 WeakPolarHBondContact O-CB 3.35Å; S390-I394 WeakPolarHBondContact O-CD1 3.42Å; S390-I394 WeakPolarHBondContact O-CG1 3.33Å; S390-I394 PolarHBondContact O-N 3Å
391	N	85	Confident	82.2	Confident	102 Å²	102	94.6 Å²	94.6	55%	0.545	48%	0.476	S	S	.	.	H	α-helix	trans	-66.7	-35.4	174.8	-79.6	-38.2	0	0	0	112.9	A387 K388 K389 S395	A387-N391 VanDerWaalsContact O-CB 3.25Å; A387-N391 WeakPolarHBondContact O-CB 3.45Å; A387-N391 VanDerWaalsContact O-CG 3.23Å; A387-N391 PolarHBondContact O-N 3.05Å; A387-N391 PolarHBondContact O-ND2 3.4Å; K388-N391 PolarHBondContact O-N 3.06Å; K389-N391 VanDerWaalsContact C-N 3.33Å; K389-N391 PolarHBondContact O-N 3.03Å; N391-S395 WeakPolarHBondContact O-CB 3.15Å; N391-S395 PolarHBondContact O-N 3.24Å
392	A	85.9	Confident	83.2	Confident	63 Å²	63	93.7 Å²	93.7	52%	0.521	48%	0.475	S	S	.	.	H	α-helix	trans	-66.3	-44.9	173.9	0	0	0	0	0	111.3	K388 K389 S395 E396	K388-A392 PolarHBondContact O-N 3.17Å; K389-A392 WeakPolarHBondContact O-CB 3.18Å; K389-A392 PolarHBondContact O-N 3.22Å; A392-S395 WeakPolarHBondContact O-CB 3.47Å; A392-S395 PolarHBondContact O-N 2.95Å; A392-S395 VanDerWaalsContact O-N 3.16Å; A392-E396 PolarHBondContact O-N 3.27Å
393	E	84.5	Confident	84	Confident	87 Å²	87	90.8 Å²	90.8	41%	0.407	46%	0.46	S	S	.	.	H	α-helix	trans	-62.1	-45.4	176	-173	177.6	175.3	0	0	112.1	K389 S390 S395 E396 L397	K389-E393 PolarHBondContact O-N 2.95Å; S390-E393 PolarHBondContact O-N 3.03Å; E393-S395 VanDerWaalsContact C-N 3.27Å; E393-S395 PolarHBondContact O-N 2.72Å; E393-E396 PolarHBondContact O-N 2.87Å; E393-L397 HydrophobicContact CG-CD1 4.43Å; E393-L397 WeakPolarHBondContact O-CB 3.45Å; E393-L397 WeakPolarHBondContact O-CG 3.37Å; E393-L397 PolarHBondContact O-N 2.82Å
394	I	83.7	Confident	84.6	Confident	71 Å²	71	92 Å²	92	36%	0.364	46%	0.461	S	S	.	.	H	α-helix	trans	-59.8	-37.4	172.8	-71.3	164.3	0	0	0	111.3	S390 R398	S390-I394 WeakPolarHBondContact O-CB 3.35Å; S390-I394 WeakPolarHBondContact O-CD1 3.42Å; S390-I394 WeakPolarHBondContact O-CG1 3.33Å; S390-I394 PolarHBondContact O-N 3Å; I394-R398 HydrophobicContact CG2-CG 4.5Å; I394-R398 WeakPolarHBondContact O-CB 3.33Å; I394-R398 WeakPolarHBondContact O-CG 3.36Å; I394-R398 PolarHBondContact O-N 3.41Å
395	S	85.9	Confident	85.3	Confident	80 Å²	80	94.3 Å²	94.3	56%	0.559	47%	0.469	S	S	*	.	H	α-helix	trans	-66.8	-42.3	176.7	-164.5	0	0	0	0	112.1	N391 A392 E393 R398 G399	N391-S395 WeakPolarHBondContact O-CB 3.15Å; N391-S395 PolarHBondContact O-N 3.24Å; A392-S395 WeakPolarHBondContact O-CB 3.47Å; A392-S395 PolarHBondContact O-N 2.95Å; A392-S395 VanDerWaalsContact O-N 3.16Å; E393-S395 VanDerWaalsContact C-N 3.27Å; E393-S395 PolarHBondContact O-N 2.72Å; S395-R398 PolarHBondContact O-N 2.96Å; S395-G399 PolarHBondContact O-N 2.83Å
396	E	85.3	Confident	85.9	Confident	123 Å²	123	88.9 Å²	88.9	58%	0.575	45%	0.452	S	S	*	.	H	α-helix	trans	-64.1	-46.9	174.6	-176.6	169.7	-174	0	0	111.6	A392 E393 R398 G399 I400	A392-E396 PolarHBondContact O-N 3.27Å; E393-E396 PolarHBondContact O-N 2.87Å; E396-R398 VanDerWaalsContact C-N 3.34Å; E396-R398 PolarHBondContact O-N 2.86Å; E396-G399 CarbonylContact O-C 3.6Å; E396-G399 WeakPolarHBondContact O-CA 3.45Å; E396-G399 PolarHBondContact O-N 2.99Å; E396-I400 HydrophobicContact CG-CD1 4.11Å; E396-I400 WeakPolarHBondContact O-CG1 3.32Å; E396-I400 PolarHBondContact O-N 3.32Å
397	L	87.4	Confident	86.2	Confident	89 Å²	89	84.9 Å²	84.9	47%	0.466	44%	0.437	S	S	.	.	H	α-helix	trans	-59.5	-41.3	175.6	-71	173.7	0	0	0	112.2	E393 G399 I400 I401	E393-L397 HydrophobicContact CG-CD1 4.43Å; E393-L397 WeakPolarHBondContact O-CB 3.45Å; E393-L397 WeakPolarHBondContact O-CG 3.37Å; E393-L397 PolarHBondContact O-N 2.82Å; L397-G399 VanDerWaalsContact C-N 3.31Å; L397-G399 PolarHBondContact O-N 2.94Å; L397-I400 PolarHBondContact O-N 2.89Å; L397-I401 WeakPolarHBondContact O-CB 3.34Å; L397-I401 VanDerWaalsContact O-CG1 3.24Å; L397-I401 WeakPolarHBondContact O-CG1 3.25Å; L397-I401 PolarHBondContact O-N 3.43Å
398	R	87.2	Confident	86.7	Confident	180 Å²	180	87.1 Å²	87.1	68%	0.679	44%	0.441	S	S	*	.	H	α-helix	trans	-60.6	-39	172.5	-76.2	168.9	178.7	-173	0.4	112.1	I394 S395 E396 K402	I394-R398 HydrophobicContact CG2-CG 4.5Å; I394-R398 WeakPolarHBondContact O-CB 3.33Å; I394-R398 WeakPolarHBondContact O-CG 3.36Å; I394-R398 PolarHBondContact O-N 3.41Å; S395-R398 PolarHBondContact O-N 2.96Å; E396-R398 VanDerWaalsContact C-N 3.34Å; E396-R398 PolarHBondContact O-N 2.86Å; R398-K402 WeakPolarHBondContact O-CB 3.2Å; R398-K402 PolarHBondContact O-N 2.88Å
399	G	89.2	Confident	87	Confident	33 Å²	33	86.2 Å²	86.2	34%	0.34	44%	0.439	S	S	.	.	H	α-helix	trans	-62	-46.9	172.5	0	0	0	0	0	112.7	S395 E396 L397 K402 I403	S395-G399 PolarHBondContact O-N 2.83Å; E396-G399 CarbonylContact O-C 3.6Å; E396-G399 WeakPolarHBondContact O-CA 3.45Å; E396-G399 PolarHBondContact O-N 2.99Å; L397-G399 VanDerWaalsContact C-N 3.31Å; L397-G399 PolarHBondContact O-N 2.94Å; G399-K402 PolarHBondContact O-N 2.86Å; G399-I403 WeakPolarHBondContact O-CG1 3.39Å; G399-I403 PolarHBondContact O-N 3.13Å
400	I	87.1	Confident	87	Confident	54 Å²	54	82.1 Å²	82.1	28%	0.277	42%	0.422	S	S	.	.	H	α-helix	trans	-64.5	-42.1	178	-66.3	167.4	0	0	0	111.4	E396 L397 I403 K404	E396-I400 HydrophobicContact CG-CD1 4.11Å; E396-I400 WeakPolarHBondContact O-CG1 3.32Å; E396-I400 PolarHBondContact O-N 3.32Å; L397-I400 PolarHBondContact O-N 2.89Å; I400-I403 PolarHBondContact O-N 3.37Å; I400-K404 HydrophobicContact CG2-CD 4.16Å; I400-K404 HydrophobicContact CG2-CG 4.49Å; I400-K404 WeakPolarHBondContact O-CG 3.4Å; I400-K404 PolarHBondContact O-N 3.3Å
401	I	86.7	Confident	87.4	Confident	90 Å²	90	84.7 Å²	84.7	46%	0.462	43%	0.431	S	S	.	.	H	α-helix	trans	-58.8	-51.3	176	-72.5	164.3	0	0	0	109.8	L397 I403 K404 E405	L397-I401 WeakPolarHBondContact O-CB 3.34Å; L397-I401 VanDerWaalsContact O-CG1 3.24Å; L397-I401 WeakPolarHBondContact O-CG1 3.25Å; L397-I401 PolarHBondContact O-N 3.43Å; I401-I403 VanDerWaalsContact C-N 3.31Å; I401-I403 PolarHBondContact O-N 2.91Å; I401-K404 CarbonylContact O-C 3.57Å; I401-K404 WeakPolarHBondContact O-CA 3.25Å; I401-K404 WeakPolarHBondContact O-CB 3.27Å; I401-K404 PolarHBondContact O-N 2.97Å; I401-E405 HydrophobicContact CG2-CG 4.27Å; I401-E405 WeakPolarHBondContact CG2-OE1 3.48Å; I401-E405 WeakPolarHBondContact O-CG 3.42Å; I401-E405 PolarHBondContact O-N 3.41Å
402	K	90.1	Very high	87.6	Confident	127 Å²	127	85.1 Å²	85.1	55%	0.552	43%	0.43	S	S	*	.	H	α-helix	trans	-56.8	-41.9	177.3	-176.6	178.7	177.6	179.6	0	112.9	R398 G399 K404 E405 E406	R398-K402 WeakPolarHBondContact O-CB 3.2Å; R398-K402 PolarHBondContact O-N 2.88Å; G399-K402 PolarHBondContact O-N 2.86Å; K402-K404 VanDerWaalsContact C-N 3.35Å; K402-E405 PolarHBondContact O-N 3.01Å; K402-E406 PolarHBondContact O-N 2.97Å
403	I	88.7	Confident	87.8	Confident	34 Å²	34	87.2 Å²	87.2	17%	0.174	43%	0.429	C	S	.	.	H	α-helix	trans	-66	-37.6	176.8	-67.7	167.5	0	0	0	111.3	G399 I400 I401 A407 I601 Q604 L605	G399-I403 WeakPolarHBondContact O-CG1 3.39Å; G399-I403 PolarHBondContact O-N 3.13Å; I400-I403 PolarHBondContact O-N 3.37Å; I401-I403 VanDerWaalsContact C-N 3.31Å; I401-I403 PolarHBondContact O-N 2.91Å; I403-A407 WeakPolarHBondContact O-CB 3.36Å; I403-A407 PolarHBondContact O-N 3.49Å; I403-A407 VanDerWaalsContact O-N 3.07Å; I403-I601 HydrophobicContact CG2-CG2 3.65Å; I403-Q604 HydrophobicContact CD1-CB 4.44Å; I403-L605 HydrophobicContact CB-CD2 4.49Å; I403-L605 HydrophobicContact CG2-CD1 4.22Å; I403-L605 HydrophobicContact CG2-CD2 3.84Å; I403-L605 HydrophobicContact CG2-CG 3.99Å
404	K	88.2	Confident	88	Confident	123 Å²	123	87.3 Å²	87.3	54%	0.535	43%	0.43	S	S	.	.	H	α-helix	trans	-68.4	-40.8	174.8	-75	177.4	178	177.9	0	112	I400 I401 K402 A407 I408	I400-K404 HydrophobicContact CG2-CD 4.16Å; I400-K404 HydrophobicContact CG2-CG 4.49Å; I400-K404 WeakPolarHBondContact O-CG 3.4Å; I400-K404 PolarHBondContact O-N 3.3Å; I401-K404 CarbonylContact O-C 3.57Å; I401-K404 WeakPolarHBondContact O-CA 3.25Å; I401-K404 WeakPolarHBondContact O-CB 3.27Å; I401-K404 PolarHBondContact O-N 2.97Å; K402-K404 VanDerWaalsContact C-N 3.35Å; K404-A407 WeakPolarHBondContact O-CB 3.4Å; K404-A407 PolarHBondContact O-N 3.19Å; K404-I408 VanDerWaalsContact O-CG1 3.31Å; K404-I408 WeakPolarHBondContact O-CG1 3.4Å; K404-I408 PolarHBondContact O-N 3.44Å
405	E	88.9	Confident	88.2	Confident	118 Å²	118	88.5 Å²	88.5	55%	0.551	44%	0.437	S	S	*	.	H	α-helix	trans	-61.1	-45.8	174.6	-71.2	170.1	162.8	0	0	111.4	I401 K402 A407 I408 H409	I401-E405 HydrophobicContact CG2-CG 4.27Å; I401-E405 WeakPolarHBondContact CG2-OE1 3.48Å; I401-E405 WeakPolarHBondContact O-CG 3.42Å; I401-E405 PolarHBondContact O-N 3.41Å; K402-E405 PolarHBondContact O-N 3.01Å; E405-A407 VanDerWaalsContact C-N 3.29Å; E405-A407 PolarHBondContact O-N 3.33Å; E405-I408 PolarHBondContact O-N 3.04Å; E405-H409 PolarHBondContact O-N 2.97Å
406	E	90.3	Very high	88.5	Confident	73 Å²	73	88 Å²	88	34%	0.341	43%	0.433	S	S	.	.	H	α-helix	trans	-60.1	-38	172.7	-77.9	-166.2	-140.6	0	0	112.5	K402 M410 R597	K402-E406 PolarHBondContact O-N 2.97Å; E406-M410 WeakPolarHBondContact O-CG 3.37Å; E406-M410 PolarHBondContact O-N 3.38Å; E406-M410 VanDerWaalsContact O-N 3.17Å; E406-R597 IonicContact OE2-CZ 3.25Å; E406-R597 IonicContact OE2-NE 3.56Å; E406-R597 IonicContact OE2-NH2 2.62Å; E406-R597 PolarHBondContact OE2-NH2 3.36Å
407	A	87.5	Confident	88.8	Confident	19 Å²	19	89.4 Å²	89.4	16%	0.157	43%	0.433	C	S	.	.	H	α-helix	trans	-69.4	-38.8	176.9	0	0	0	0	0	112.8	I403 K404 E405 M410 L411 I601	I403-A407 WeakPolarHBondContact O-CB 3.36Å; I403-A407 PolarHBondContact O-N 3.49Å; I403-A407 VanDerWaalsContact O-N 3.07Å; K404-A407 WeakPolarHBondContact O-CB 3.4Å; K404-A407 PolarHBondContact O-N 3.19Å; E405-A407 VanDerWaalsContact C-N 3.29Å; E405-A407 PolarHBondContact O-N 3.33Å; A407-M410 PolarHBondContact O-N 2.72Å; A407-L411 WeakPolarHBondContact O-CG 3.45Å; A407-L411 PolarHBondContact O-N 3.41Å; A407-L411 VanDerWaalsContact O-N 3.08Å; A407-I601 HydrophobicContact CB-CD1 4.39Å
408	I	88.6	Confident	89	Confident	91 Å²	91	89.7 Å²	89.7	47%	0.467	44%	0.435	S	S	.	.	H	α-helix	trans	-61.9	-50	174.1	-71.3	163.5	0	0	0	109.8	K404 E405 M410 L411 E412	K404-I408 VanDerWaalsContact O-CG1 3.31Å; K404-I408 WeakPolarHBondContact O-CG1 3.4Å; K404-I408 PolarHBondContact O-N 3.44Å; E405-I408 PolarHBondContact O-N 3.04Å; I408-M410 VanDerWaalsContact C-N 3.26Å; I408-M410 PolarHBondContact O-N 3.42Å; I408-L411 PolarHBondContact O-N 3.15Å; I408-E412 HydrophobicContact CG2-CG 4.28Å; I408-E412 WeakPolarHBondContact O-CG 3.48Å; I408-E412 PolarHBondContact O-N 3.48Å
409	H	89.3	Confident	89.2	Confident	107 Å²	107	83.5 Å²	83.5	50%	0.495	42%	0.419	S	S	.	.	H	α-helix	trans	-60.9	-33.7	-179.7	-166.5	-52.3	0	0	0	112.6	E405 E413	E405-H409 PolarHBondContact O-N 2.97Å; H409-E413 WeakPolarHBondContact O-CB 3.49Å; H409-E413 PolarHBondContact O-N 2.9Å
410	M	86.5	Confident	89.3	Confident	19 Å²	19	86 Å²	86	9%	0.094	42%	0.424	C	S	.	.	H	α-helix	trans	-69.9	-38.9	172.3	-73.4	-164.8	-52.5	0	0	113.2	E406 A407 I408 E412 E413 E414 R597 M598 I601	E406-M410 WeakPolarHBondContact O-CG 3.37Å; E406-M410 PolarHBondContact O-N 3.38Å; E406-M410 VanDerWaalsContact O-N 3.17Å; A407-M410 PolarHBondContact O-N 2.72Å; I408-M410 VanDerWaalsContact C-N 3.26Å; I408-M410 PolarHBondContact O-N 3.42Å; M410-E412 VanDerWaalsContact C-N 3.34Å; M410-E413 PolarHBondContact O-N 3.16Å; M410-E414 WeakPolarHBondContact O-CB 3.49Å; M410-E414 PolarHBondContact O-N 3.01Å; M410-R597 HydrophobicContact CE-CG 4.23Å; M410-R597 HydrophobicContact SD-CB 3.89Å; M410-R597 WeakPolarHBondContact SD-CD 3.46Å; M410-R597 HydrophobicContact SD-CG 3.58Å; M410-R597 VanDerWaalsContact SD-CG 3.58Å; M410-M598 HydrophobicContact CE-CE 3.91Å; M410-M598 HydrophobicContact CE-SD 4.13Å; M410-I601 HydrophobicContact CE-CD1 3.48Å; M410-I601 VanDerWaalsContact CE-CD1 3.48Å
411	L	88.9	Confident	89.5	Confident	95 Å²	95	87 Å²	87	50%	0.497	44%	0.436	S	S	.	.	H	α-helix	trans	-68	-35.9	176.4	-72.9	169.3	0	0	0	111.5	A407 I408 E414 N415 M598	A407-L411 WeakPolarHBondContact O-CG 3.45Å; A407-L411 PolarHBondContact O-N 3.41Å; A407-L411 VanDerWaalsContact O-N 3.08Å; I408-L411 PolarHBondContact O-N 3.15Å; L411-E414 PolarHBondContact O-N 3.04Å; L411-N415 WeakPolarHBondContact O-CB 3.5Å; L411-N415 PolarHBondContact O-N 3.01Å; L411-M598 HydrophobicContact CD2-CE 4.24Å; L411-M598 HydrophobicContact CG-CE 4.49Å
412	E	89	Confident	89.6	Confident	111 Å²	111	87.8 Å²	87.8	52%	0.519	44%	0.441	S	S	.	.	H	α-helix	trans	-67.8	-39.1	173.4	-70.4	176.9	160.8	0	0	112	I408 M410 S416	I408-E412 HydrophobicContact CG2-CG 4.28Å; I408-E412 WeakPolarHBondContact O-CG 3.48Å; I408-E412 PolarHBondContact O-N 3.48Å; M410-E412 VanDerWaalsContact C-N 3.34Å; E412-S416 VanDerWaalsContact O-CB 3.31Å; E412-S416 WeakPolarHBondContact O-CB 3.43Å; E412-S416 PolarHBondContact O-N 3.04Å; E412-S416 PolarHBondContact O-OG 3.37Å
413	E	90.7	Very high	89.6	Confident	108 Å²	108	87.6 Å²	87.6	51%	0.505	44%	0.44	S	S	.	.	H	α-helix	trans	-63	-46.7	171.7	-171	-170.8	159.8	0	0	111.4	H409 M410 S416 R417	H409-E413 WeakPolarHBondContact O-CB 3.49Å; H409-E413 PolarHBondContact O-N 2.9Å; M410-E413 PolarHBondContact O-N 3.16Å; E413-S416 PolarHBondContact O-N 2.87Å; E413-R417 WeakPolarHBondContact O-CG 3.35Å; E413-R417 PolarHBondContact O-N 2.81Å
414	E	88.9	Confident	89.6	Confident	89 Å²	89	89.8 Å²	89.8	42%	0.416	46%	0.455	S	S	.	.	H	α-helix	trans	-62.8	-44.8	177.3	-175.6	170.5	-162.2	0	0	111.8	M410 L411 S416 R417 L418	M410-E414 WeakPolarHBondContact O-CB 3.49Å; M410-E414 PolarHBondContact O-N 3.01Å; L411-E414 PolarHBondContact O-N 3.04Å; E414-S416 VanDerWaalsContact C-N 3.32Å; E414-S416 PolarHBondContact O-N 2.87Å; E414-R417 PolarHBondContact O-N 3.06Å; E414-L418 HydrophobicContact CG-CD1 4.24Å; E414-L418 WeakPolarHBondContact O-CG 3.28Å; E414-L418 PolarHBondContact O-N 3.34Å
415	N	88.9	Confident	89.6	Confident	96 Å²	96	89.9 Å²	89.9	51%	0.513	46%	0.456	S	S	.	.	H	α-helix	trans	-64.4	-36.6	177.2	-164.8	18.4	0	0	0	111.8	L411 L418 S419	L411-N415 WeakPolarHBondContact O-CB 3.5Å; L411-N415 PolarHBondContact O-N 3.01Å; N415-L418 PolarHBondContact O-N 2.92Å; N415-S419 VanDerWaalsContact O-CB 3.3Å; N415-S419 WeakPolarHBondContact O-CB 3.35Å; N415-S419 PolarHBondContact O-N 3.47Å
416	S	92.2	Very high	89.4	Confident	68 Å²	68	89 Å²	89	48%	0.476	45%	0.454	S	S	.	.	H	α-helix	trans	-63.6	-44.9	172.7	-60.4	0	0	0	0	111.5	E412 E413 E414 L418 S419 D420	E412-S416 VanDerWaalsContact O-CB 3.31Å; E412-S416 WeakPolarHBondContact O-CB 3.43Å; E412-S416 PolarHBondContact O-N 3.04Å; E412-S416 PolarHBondContact O-OG 3.37Å; E413-S416 PolarHBondContact O-N 2.87Å; E414-S416 VanDerWaalsContact C-N 3.32Å; E414-S416 PolarHBondContact O-N 2.87Å; S416-L418 PolarHBondContact O-N 2.94Å; S416-S419 WeakPolarHBondContact O-CB 3.09Å; S416-S419 PolarHBondContact O-N 2.94Å; S416-D420 PolarHBondContact O-N 3.43Å
417	R	90.9	Very high	89.1	Confident	154 Å²	154	93 Å²	93	58%	0.581	47%	0.468	S	S	*	.	H	α-helix	trans	-63.6	-38.9	175.7	-70.6	174.9	64.2	-154.6	-5.2	112.7	E413 E414 S421	E413-R417 WeakPolarHBondContact O-CG 3.35Å; E413-R417 PolarHBondContact O-N 2.81Å; E414-R417 PolarHBondContact O-N 3.06Å; R417-S421 WeakPolarHBondContact O-CB 3.43Å; R417-S421 PolarHBondContact O-N 3.24Å
418	L	91.1	Very high	88.9	Confident	95 Å²	95	95.6 Å²	95.6	50%	0.497	48%	0.479	S	S	.	.	H	α-helix	trans	-67.3	-41.1	174.3	-71.4	172	0	0	0	111.6	E414 N415 S416 S421 L422	E414-L418 HydrophobicContact CG-CD1 4.24Å; E414-L418 WeakPolarHBondContact O-CG 3.28Å; E414-L418 PolarHBondContact O-N 3.34Å; N415-L418 PolarHBondContact O-N 2.92Å; S416-L418 PolarHBondContact O-N 2.94Å; L418-S421 PolarHBondContact O-N 3.36Å; L418-L422 WeakPolarHBondContact O-CB 3.39Å; L418-L422 WeakPolarHBondContact O-CG 3.39Å; L418-L422 PolarHBondContact O-N 3.2Å
419	S	90.8	Very high	88.4	Confident	50 Å²	50	96.9 Å²	96.9	35%	0.35	48%	0.484	S	S	.	.	H	α-helix	trans	-59.6	-46.7	174.6	-174.6	0	0	0	0	111.8	N415 S416 L422 K423	N415-S419 VanDerWaalsContact O-CB 3.3Å; N415-S419 WeakPolarHBondContact O-CB 3.35Å; N415-S419 PolarHBondContact O-N 3.47Å; S416-S419 WeakPolarHBondContact O-CB 3.09Å; S416-S419 PolarHBondContact O-N 2.94Å; S419-L422 PolarHBondContact O-N 3.01Å; S419-K423 WeakPolarHBondContact O-CG 3.3Å; S419-K423 PolarHBondContact O-N 2.83Å
420	D	92.1	Very high	87.8	Confident	85 Å²	85	98.1 Å²	98.1	46%	0.455	49%	0.494	S	S	.	.	H	α-helix	trans	-70.2	-32.4	177.6	-72	-17.2	0	0	0	113	S416 K423 T424	S416-D420 PolarHBondContact O-N 3.43Å; D420-K423 PolarHBondContact O-N 3.36Å; D420-K423 IonicContact OD1-NZ 2.71Å; D420-K423 PolarHBondContact OD1-NZ 3.13Å; D420-T424 WeakPolarHBondContact O-CB 3.49Å; D420-T424 PolarHBondContact O-N 3.01Å; D420-T424 PolarHBondContact O-OG1 3.21Å
421	S	90.8	Very high	86.9	Confident	74 Å²	74	101.6 Å²	101.6	52%	0.517	51%	0.509	S	S	.	.	H	α-helix	trans	-63.9	-44.1	170.4	-169.6	0	0	0	0	111.7	R417 L418 T424 F425	R417-S421 WeakPolarHBondContact O-CB 3.43Å; R417-S421 PolarHBondContact O-N 3.24Å; L418-S421 PolarHBondContact O-N 3.36Å; S421-T424 WeakPolarHBondContact O-CB 3.46Å; S421-T424 PolarHBondContact O-N 2.88Å; S421-F425 WeakPolarHBondContact O-CB 3.24Å; S421-F425 PolarHBondContact O-N 2.93Å
422	L	90.2	Very high	85.4	Confident	108 Å²	108	103.6 Å²	103.6	57%	0.565	53%	0.527	S	S	*	.	H	α-helix	trans	-63.3	-44.2	174.6	-76.9	170.1	0	0	0	112.1	L418 S419 T424 F425 L426	L418-L422 WeakPolarHBondContact O-CB 3.39Å; L418-L422 WeakPolarHBondContact O-CG 3.39Å; L418-L422 PolarHBondContact O-N 3.2Å; S419-L422 PolarHBondContact O-N 3.01Å; L422-T424 VanDerWaalsContact C-N 3.28Å; L422-T424 PolarHBondContact O-N 3.41Å; L422-F425 PolarHBondContact O-N 3.37Å; L422-L426 WeakPolarHBondContact O-CB 3.46Å; L422-L426 VanDerWaalsContact O-CG 3.29Å; L422-L426 WeakPolarHBondContact O-CG 3.31Å; L422-L426 PolarHBondContact O-N 3Å
423	K	89.6	Confident	83.9	Confident	122 Å²	122	101.2 Å²	101.2	53%	0.53	53%	0.533	S	S	.	.	H	α-helix	trans	-57.2	-43	172.6	-69.5	170.6	-158.5	159.8	0	111.4	S419 D420 Y427	S419-K423 WeakPolarHBondContact O-CG 3.3Å; S419-K423 PolarHBondContact O-N 2.83Å; D420-K423 PolarHBondContact O-N 3.36Å; D420-K423 IonicContact OD1-NZ 2.71Å; D420-K423 PolarHBondContact OD1-NZ 3.13Å; K423-Y427 VanDerWaalsContact O-CB 3.24Å; K423-Y427 WeakPolarHBondContact O-CB 3.41Å; K423-Y427 PolarHBondContact O-N 2.97Å
424	T	88.9	Confident	81.9	Confident	81 Å²	81	102.8 Å²	102.8	50%	0.497	55%	0.545	S	S	.	.	H	α-helix	trans	-66	-41.7	178.7	-56.9	0	0	0	0	111.7	D420 S421 L422 N428	D420-T424 WeakPolarHBondContact O-CB 3.49Å; D420-T424 PolarHBondContact O-N 3.01Å; D420-T424 PolarHBondContact O-OG1 3.21Å; S421-T424 WeakPolarHBondContact O-CB 3.46Å; S421-T424 PolarHBondContact O-N 2.88Å; L422-T424 VanDerWaalsContact C-N 3.28Å; L422-T424 PolarHBondContact O-N 3.41Å; T424-N428 WeakPolarHBondContact O-CB 3.44Å; T424-N428 PolarHBondContact O-N 3.46Å; T424-N428 PolarHBondContact O-ND2 3.01Å
425	F	87	Confident	80.1	Confident	125 Å²	125	106 Å²	106	55%	0.548	56%	0.564	S	S	.	*	H	α-helix	trans	-64.1	-48.9	175.4	-178.5	-98	0	0	0	111.7	S421 L422 Y427 N428 M429	S421-F425 WeakPolarHBondContact O-CB 3.24Å; S421-F425 PolarHBondContact O-N 2.93Å; L422-F425 PolarHBondContact O-N 3.37Å; F425-Y427 VanDerWaalsContact C-N 3.34Å; F425-Y427 PolarHBondContact O-N 3.36Å; F425-N428 PolarHBondContact O-N 2.67Å; F425-N428 VanDerWaalsContact O-N 3.16Å; F425-M429 HydrophobicContact CD1-CG 4.09Å; F425-M429 HydrophobicContact CE1-CG 3.68Å; F425-M429 HydrophobicContact CE1-SD 4.37Å; F425-M429 HydrophobicContact CE2-CG 4.35Å; F425-M429 HydrophobicContact CZ-CG 3.82Å; F425-M429 HydrophobicContact CZ-SD 4Å; F425-M429 WeakPolarHBondContact O-CG 3.42Å; F425-M429 PolarHBondContact O-N 3.47Å
426	L	84.5	Confident	78	Confident	100 Å²	100	107.9 Å²	107.9	52%	0.524	57%	0.574	S	S	.	*	H	α-helix	trans	-61.6	-40.1	176.8	-69.8	172.1	0	0	0	112.1	L422 N428 M429 N430	L422-L426 WeakPolarHBondContact O-CB 3.46Å; L422-L426 VanDerWaalsContact O-CG 3.29Å; L422-L426 WeakPolarHBondContact O-CG 3.31Å; L422-L426 PolarHBondContact O-N 3Å; L426-N428 VanDerWaalsContact C-N 3.34Å; L426-N428 PolarHBondContact O-N 3.16Å; L426-M429 PolarHBondContact O-N 3.49Å; L426-N430 WeakPolarHBondContact O-CB 3.24Å; L426-N430 PolarHBondContact O-N 3.45Å
427	Y	84.2	Confident	75.8	Confident	157 Å²	157	113.8 Å²	113.8	62%	0.616	59%	0.591	S	S	*	*	H	α-helix	trans	-62.8	-39.3	174.3	179	-105.9	0	0	0	112.3	K423 F425 K431	K423-Y427 VanDerWaalsContact O-CB 3.24Å; K423-Y427 WeakPolarHBondContact O-CB 3.41Å; K423-Y427 PolarHBondContact O-N 2.97Å; F425-Y427 VanDerWaalsContact C-N 3.34Å; F425-Y427 PolarHBondContact O-N 3.36Å; Y427-K431 PolarHBondContact O-N 2.9Å
428	N	84.6	Confident	73.2	Confident	73 Å²	73	112.8 Å²	112.8	39%	0.39	60%	0.602	S	S	.	*	H	α-helix	trans	-73.8	-32.3	176.7	-73.5	-33.8	0	0	0	113.2	T424 F425 L426 K431	T424-N428 WeakPolarHBondContact O-CB 3.44Å; T424-N428 PolarHBondContact O-N 3.46Å; T424-N428 PolarHBondContact O-ND2 3.01Å; F425-N428 PolarHBondContact O-N 2.67Å; F425-N428 VanDerWaalsContact O-N 3.16Å; L426-N428 VanDerWaalsContact C-N 3.34Å; L426-N428 PolarHBondContact O-N 3.16Å; N428-K431 PolarHBondContact OD1-NZ 3.26Å
429	M	77.9	Confident	70.7	Confident	118 Å²	118	114.3 Å²	114.3	58%	0.581	62%	0.616	S	S	*	*	H	α-helix	trans	-69.7	-40.6	172.8	-73.2	-69.2	-67.7	0	0	112.1	F425 L426 K431	F425-M429 HydrophobicContact CD1-CG 4.09Å; F425-M429 HydrophobicContact CE1-CG 3.68Å; F425-M429 HydrophobicContact CE1-SD 4.37Å; F425-M429 HydrophobicContact CE2-CG 4.35Å; F425-M429 HydrophobicContact CZ-CG 3.82Å; F425-M429 HydrophobicContact CZ-SD 4Å; F425-M429 WeakPolarHBondContact O-CG 3.42Å; F425-M429 PolarHBondContact O-N 3.47Å; L426-M429 PolarHBondContact O-N 3.49Å; M429-K431 VanDerWaalsContact C-N 3.26Å; M429-K431 PolarHBondContact O-N 3.42Å
430	N	76.6	Confident	68.1	Low	133 Å²	133	121.3 Å²	121.3	71%	0.711	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.1	10	179.5	-73.3	-4.7	0	0	0	113.8	L426 P432	L426-N430 WeakPolarHBondContact O-CB 3.24Å; L426-N430 PolarHBondContact O-N 3.45Å; N430-P432 WeakPolarHBondContact O-CD 3.32Å
431	K	67.1	Low	65.6	Low	91 Å²	91	122.1 Å²	122.1	40%	0.396	66%	0.658	S	S	.	*			trans	-72.6	114.1	170.6	-91.9	175.6	-178.5	166.1	0	109.8	Y427 N428 M429 G433	Y427-K431 PolarHBondContact O-N 2.9Å; N428-K431 PolarHBondContact OD1-NZ 3.26Å; M429-K431 VanDerWaalsContact C-N 3.26Å; M429-K431 PolarHBondContact O-N 3.42Å; K431-G433 PolarHBondContact O-N 2.83Å
432	P	56.9	Low	62.9	Low	137 Å²	137	126 Å²	126	89%	0.89	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.6	125.5	171.2	28	-33.3	0	0	0	108.8	N430	N430-P432 WeakPolarHBondContact O-CD 3.32Å
433	G	57.2	Low	60.5	Low	62 Å²	62	128.1 Å²	128.1	64%	0.639	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	124	3.2	177.3	0	0	0	0	0	117.1	K431	K431-G433 PolarHBondContact O-N 2.83Å
434	N	50.2	Low	58	Low	141 Å²	141	129.2 Å²	129.2	75%	0.754	70%	0.696	S	S	*	*	S	Bend	trans	-112.5	3.4	177.2	-127.3	11	0	0	0	115.3
435	L	51.5	Low	55.4	Low	155 Å²	155	136.1 Å²	136.1	81%	0.812	72%	0.715	S	S	*	*	S	Bend	trans	-94	-17.8	170.9	-88	86.8	0	0	0	113.8	K437	L435-K437 VanDerWaalsContact C-N 3.3Å; L435-K437 PolarHBondContact O-N 3.23Å; L435-K437 VanDerWaalsContact O-N 3.14Å
436	D	44.4	Very low	52.9	Low	137 Å²	137	135.1 Å²	135.1	73%	0.733	72%	0.721	S	S	*	*			trans	-91.4	41.4	-170.8	-60	-50.6	0	0	0	114.3
437	K	46.2	Very low	50.6	Low	192 Å²	192	137.3 Å²	137.3	84%	0.835	73%	0.732	S	S	*	*			trans	-126.6	73.8	167.3	-72.4	-170.8	-180	177.3	0	111.4	L435 T439	L435-K437 VanDerWaalsContact C-N 3.3Å; L435-K437 PolarHBondContact O-N 3.23Å; L435-K437 VanDerWaalsContact O-N 3.14Å; K437-T439 PolarHBondContact O-N 3.46Å
438	T	35.4	Very low	48.2	Very low	132 Å²	132	139 Å²	139	81%	0.81	74%	0.742	S	S	*	*			trans	-26	114.2	150.2	36.7	0	0	0	0	114.1
439	T	38.1	Very low	45.9	Very low	127 Å²	127	141.1 Å²	141.1	78%	0.779	76%	0.76	S	S	*	*				-158.1	101.4	127	-1.5	0	0	0	0	110.7	K437 S441	K437-T439 PolarHBondContact O-N 3.46Å; T439-S441 PolarHBondContact O-N 2.58Å
440	M	36	Very low	44	Very low	197 Å²	197	143.6 Å²	143.6	97%	0.97	77%	0.77	S	S	*	*			trans	-65.7	110.2	157.7	-75.1	-74.7	-163.4	0	0	107.8
441	S	39.3	Very low	41.9	Very low	103 Å²	103	143.9 Å²	143.9	72%	0.72	77%	0.767	S	S	*	*			trans	-131.4	102.9	164.6	-93.3	0	0	0	0	109.4	T439 N443	T439-S441 PolarHBondContact O-N 2.58Å; S441-N443 PolarHBondContact O-N 3.15Å
442	N	36	Very low	40	Very low	154 Å²	154	148.9 Å²	148.9	82%	0.824	79%	0.785	S	S	*	*			trans	-52	133.1	158.7	-91.2	-27.1	0	0	0	109.2
443	N	39.4	Very low	38.8	Very low	153 Å²	153	149.5 Å²	149.5	82%	0.818	78%	0.776	S	S	*	*			trans	-153.7	115.3	144	-97.7	-34.2	0	0	0	110.4	S441	S441-N443 PolarHBondContact O-N 3.15Å
444	N	35.6	Very low	37.5	Very low	145 Å²	145	151.9 Å²	151.9	78%	0.775	78%	0.778	S	S	*	*			trans	-71.6	129	172.2	-74.4	-46.7	0	0	0	110.4
445	Y	34.7	Very low	36.7	Very low	226 Å²	226	153 Å²	153	89%	0.886	78%	0.782	S	S	*	*			trans	-149.6	118.9	146	-82.1	-71.1	0	0	0	109.5
446	P	34.1	Very low	35.9	Very low	104 Å²	104	154.4 Å²	154.4	68%	0.675	78%	0.782	S	S	*	*			trans	-99.8	-179.3	178.5	38.6	-33.9	0	0	0	112.5
447	I	36.2	Very low	35.3	Very low	146 Å²	146	154.4 Å²	154.4	75%	0.749	78%	0.782	S	S	*	*			trans	77.6	129.7	166.6	-54.9	168.4	0	0	0	112.8
448	K	34.4	Very low	34.9	Very low	192 Å²	192	151.4 Å²	151.4	84%	0.835	79%	0.785	S	S	*	*			cis	-154.1	164.5	5.6	-113.2	157.5	-166.8	173	0	109
449	P	37.1	Very low	34.7	Very low	118 Å²	118	152.7 Å²	152.7	77%	0.766	79%	0.788	S	S	*	*			trans	-97.2	137.1	176.9	36	-30.5	0	0	0	113.8
450	Q	36.5	Very low	34.6	Very low	170 Å²	170	156.1 Å²	156.1	79%	0.794	79%	0.792	S	S	*	*			trans	-162	116.3	160.8	-108.6	170	-36.5	0	0	107.7
451	E	34	Very low	34.7	Very low	140 Å²	140	156.3 Å²	156.3	65%	0.654	79%	0.79	S	S	*	*				81.6	102.3	100	-77.9	-162.6	111.6	0	0	115.8
452	Y	27.4	Very low	34.2	Very low	196 Å²	196	162.4 Å²	162.4	77%	0.769	80%	0.797	S	S	*	*			trans	67.3	156.2	137.3	-67.9	-68.1	0	0	0	123.1
453	Q	31	Very low	34.3	Very low	150 Å²	150	160.5 Å²	160.5	70%	0.701	79%	0.793	S	S	*	*			trans	74.5	97.4	156.3	-107.5	55.6	-9.1	0	0	120.1
454	T	29.2	Very low	34	Very low	111 Å²	111	156.7 Å²	156.7	68%	0.681	78%	0.779	S	S	*	*				60.5	135.1	128.8	56.6	0	0	0	0	120
455	I	33.9	Very low	33.9	Very low	165 Å²	165	156.9 Å²	156.9	85%	0.846	78%	0.78	S	S	*	*				-171.4	144.6	114.4	-95.3	151.8	0	0	0	109.7
456	F	34.4	Very low	34	Very low	185 Å²	185	153 Å²	153	81%	0.811	77%	0.774	S	S	*	*			trans	-81.3	170.9	174.5	-99.7	-104.4	0	0	0	111.7
457	D	33	Very low	34.1	Very low	136 Å²	136	154.3 Å²	154.3	73%	0.727	78%	0.783	S	S	*	*			trans	67.7	112.9	160.2	-62.7	-34.7	0	0	0	119.7
458	S	36.6	Very low	34.4	Very low	129 Å²	129	153.6 Å²	153.6	90%	0.902	79%	0.785	S	S	*	*			trans	-159.9	88.2	134.6	-85.5	0	0	0	0	111.5	K460	S458-K460 PolarHBondContact O-N 3.37Å
459	N	31.7	Very low	34.3	Very low	160 Å²	160	151.8 Å²	151.8	86%	0.856	79%	0.785	S	S	*	*			trans	-83.3	103.9	164.9	-102.1	-42.4	0	0	0	109.9
460	K	36.9	Very low	34.5	Very low	199 Å²	199	152.8 Å²	152.8	87%	0.865	79%	0.788	S	S	*	*			trans	175.9	109.8	147.7	-104.8	169.7	-179	-179.3	0	111.7	S458	S458-K460 PolarHBondContact O-N 3.37Å
461	Q	37.2	Very low	34.5	Very low	201 Å²	201	149 Å²	149	94%	0.939	78%	0.781	S	S	*	*				-179.7	139.5	124.6	-97.6	169	22.8	0	0	110
462	R	29.5	Very low	34.9	Very low	231 Å²	231	150.6 Å²	150.6	87%	0.872	79%	0.788	S	S	*	*			trans	-138.3	131.9	176.1	-173.8	-172.8	-171.8	-160.3	3.9	107.6
463	P	38.8	Very low	35.9	Very low	114 Å²	114	149.4 Å²	149.4	74%	0.74	79%	0.789	S	S	*	*				-131.9	118.9	126.1	18.9	-0.1	0	0	0	109.5
464	S	32.1	Very low	36.6	Very low	73 Å²	73	150.1 Å²	150.1	51%	0.51	79%	0.792	S	S	.	*				56.5	95.9	90	72.3	0	0	0	0	114.6
465	N	34.3	Very low	37.5	Very low	149 Å²	149	151.5 Å²	151.5	80%	0.797	79%	0.791	S	S	*	*				179.3	162.4	103.5	-85.4	-16.4	0	0	0	113.8
466	N	35.7	Very low	38.3	Very low	143 Å²	143	149.5 Å²	149.5	77%	0.765	78%	0.778	S	S	*	*			trans	69.3	101.6	169.6	-64.4	2.9	0	0	0	119.2
467	P	37.2	Very low	39.4	Very low	132 Å²	132	145.9 Å²	145.9	86%	0.857	76%	0.763	S	S	*	*			trans	-86.4	131.3	153	33.9	-27.1	0	0	0	110.5
468	V	41.6	Very low	40.9	Very low	131 Å²	131	144.9 Å²	144.9	79%	0.794	75%	0.754	S	S	*	*			trans	-112.3	137	168.1	175.9	0	0	0	0	109.3	T470	V468-T470 PolarHBondContact O-N 3.15Å
469	N	32.5	Very low	42.5	Very low	155 Å²	155	143.7 Å²	143.7	83%	0.829	73%	0.734	S	S	*	*			trans	-49.5	119.6	-171.8	-77.4	-44.4	0	0	0	116
470	T	40.4	Very low	44.4	Very low	138 Å²	138	140.9 Å²	140.9	85%	0.847	72%	0.716	S	S	*	*			trans	-137.6	41.2	157.2	51.5	0	0	0	0	112.3	V468 H472	V468-T470 PolarHBondContact O-N 3.15Å; T470-H472 PolarHBondContact O-N 2.65Å
471	S	37.4	Very low	45.9	Very low	92 Å²	92	134.8 Å²	134.8	64%	0.643	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.6	-7.1	-173.9	-157.8	0	0	0	0	115.8
472	H	43	Very low	47.5	Very low	172 Å²	172	130.6 Å²	130.6	80%	0.796	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.5	-8.4	-164.8	-89.1	81.8	0	0	0	116.9	T470	T470-H472 PolarHBondContact O-N 2.65Å
473	H	48.1	Very low	49.6	Very low	172 Å²	172	124.8 Å²	124.8	80%	0.796	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.3	-25.6	-179.6	-86.2	22.8	0	0	0	114.8
474	H	46.2	Very low	51.1	Low	164 Å²	164	125 Å²	125	76%	0.759	65%	0.645	S	S	*	*	H	α-helix	trans	-72.5	-31.8	-178.8	-116.3	49.8	0	0	0	113.3	Q478	H474-Q478 PolarHBondContact O-N 3.19Å
475	H	47.9	Very low	52.9	Low	141 Å²	141	127.1 Å²	127.1	65%	0.653	65%	0.646	S	S	*	*	H	α-helix	trans	-70.8	-36	-176	-135.4	60.7	0	0	0	112.9	Q479	H475-Q479 WeakPolarHBondContact O-CB 3.47Å; H475-Q479 PolarHBondContact O-N 3.45Å
476	H	50.3	Low	54.6	Low	123 Å²	123	125.5 Å²	125.5	57%	0.569	63%	0.634	S	S	*	*	H	α-helix	trans	-71.6	-41	-177.1	-156.1	52.2	0	0	0	112.1	Q479 Q480	H476-Q479 PolarHBondContact O-N 3.22Å; H476-Q480 WeakPolarHBondContact O-CB 3.45Å; H476-Q480 PolarHBondContact O-N 3.21Å
477	H	56.1	Low	56	Low	109 Å²	109	124.1 Å²	124.1	51%	0.505	62%	0.623	S	S	.	*	H	α-helix	trans	-64.9	-40.8	176.6	-167	72.8	0	0	0	112.1	Q480 Q481	H477-Q480 PolarHBondContact O-N 2.92Å; H477-Q481 PolarHBondContact CD2-NE2 3.39Å; H477-Q481 PolarHBondContact NE2-NE2 3.42Å; H477-Q481 PolarHBondContact O-N 2.92Å
478	Q	66	Low	57.1	Low	115 Å²	115	124.1 Å²	124.1	54%	0.537	61%	0.612	S	S	.	*	H	α-helix	trans	-67.7	-36.1	177.1	-166.3	169	33.5	0	0	112.6	H474 Q482	H474-Q478 PolarHBondContact O-N 3.19Å; Q478-Q482 PolarHBondContact O-N 3.36Å
479	Q	70.7	Confident	58	Low	104 Å²	104	123.6 Å²	123.6	49%	0.486	60%	0.6	S	S	.	*	H	α-helix	trans	-68.7	-36.6	174.7	-167.4	172.9	38.6	0	0	112.1	H475 H476 Q482 Q483	H475-Q479 WeakPolarHBondContact O-CB 3.47Å; H475-Q479 PolarHBondContact O-N 3.45Å; H476-Q479 PolarHBondContact O-N 3.22Å; Q479-Q482 PolarHBondContact O-N 3.33Å; Q479-Q483 PolarHBondContact O-N 3.18Å; Q479-Q483 VanDerWaalsContact O-N 3.15Å
480	Q	69.7	Low	59.1	Low	101 Å²	101	121.2 Å²	121.2	47%	0.472	58%	0.584	S	S	.	*	H	α-helix	trans	-69.9	-38.8	178.3	-159.8	170.5	57	0	0	112.2	H476 H477 Q482 Q483 Q484	H476-Q480 WeakPolarHBondContact O-CB 3.45Å; H476-Q480 PolarHBondContact O-N 3.21Å; H477-Q480 PolarHBondContact O-N 2.92Å; Q480-Q482 PolarHBondContact O-N 3.4Å; Q480-Q483 PolarHBondContact O-N 3.37Å; Q480-Q484 PolarHBondContact O-N 3.36Å; Q480-Q484 VanDerWaalsContact O-N 3.12Å
481	Q	68.4	Low	59.6	Low	71 Å²	71	120.7 Å²	120.7	33%	0.332	57%	0.572	S	S	.	*	H	α-helix	trans	-62.7	-39	171.7	-72.1	-172.2	14.1	0	0	112.6	H477 Q483 Q484 Q485	H477-Q481 PolarHBondContact CD2-NE2 3.39Å; H477-Q481 PolarHBondContact NE2-NE2 3.42Å; H477-Q481 PolarHBondContact O-N 2.92Å; Q481-Q483 VanDerWaalsContact C-N 3.35Å; Q481-Q483 PolarHBondContact O-N 3.34Å; Q481-Q484 PolarHBondContact O-N 3.35Å; Q481-Q485 PolarHBondContact O-N 2.97Å; Q481-Q485 VanDerWaalsContact O-N 3.11Å
482	Q	72.4	Confident	60	Low	113 Å²	113	120 Å²	120	53%	0.528	57%	0.568	S	S	.	*	H	α-helix	trans	-65.2	-36.3	175.7	-73.7	-176.5	20.6	0	0	112.6	Q478 Q479 Q480 Q486	Q478-Q482 PolarHBondContact O-N 3.36Å; Q479-Q482 PolarHBondContact O-N 3.33Å; Q480-Q482 PolarHBondContact O-N 3.4Å; Q482-Q486 WeakPolarHBondContact O-CG 3.44Å; Q482-Q486 PolarHBondContact O-N 3.06Å; Q482-Q486 VanDerWaalsContact O-N 3.15Å
483	Q	71.9	Confident	60.2	Low	109 Å²	109	118.7 Å²	118.7	51%	0.509	56%	0.562	S	S	.	*	H	α-helix	trans	-67.7	-38.7	174.9	-72.1	-175.1	14.4	0	0	112.6	Q479 Q480 Q481 Q486 Q487	Q479-Q483 PolarHBondContact O-N 3.18Å; Q479-Q483 VanDerWaalsContact O-N 3.15Å; Q480-Q483 PolarHBondContact O-N 3.37Å; Q481-Q483 VanDerWaalsContact C-N 3.35Å; Q481-Q483 PolarHBondContact O-N 3.34Å; Q483-Q486 PolarHBondContact O-N 3.49Å; Q483-Q487 WeakPolarHBondContact O-CG 3.24Å; Q483-Q487 PolarHBondContact O-N 3.06Å; Q483-Q487 VanDerWaalsContact O-N 3.08Å
484	Q	70.3	Confident	59.9	Low	118 Å²	118	119 Å²	119	55%	0.551	56%	0.556	S	S	*	*	H	α-helix	trans	-65.6	-40.8	175.9	-71.5	-174.5	8.8	0	0	112.5	Q480 Q481 Q486 Q487 Q488	Q480-Q484 PolarHBondContact O-N 3.36Å; Q480-Q484 VanDerWaalsContact O-N 3.12Å; Q481-Q484 PolarHBondContact O-N 3.35Å; Q484-Q486 VanDerWaalsContact C-N 3.34Å; Q484-Q486 PolarHBondContact O-N 3.12Å; Q484-Q487 PolarHBondContact O-N 3.48Å; Q484-Q488 PolarHBondContact O-N 3.11Å
485	Q	69.9	Low	59.6	Low	117 Å²	117	118.2 Å²	118.2	55%	0.547	55%	0.553	S	S	.	*	H	α-helix	trans	-63.8	-37.1	174.9	-71	-175.6	20.6	0	0	112.6	Q481 Q489	Q481-Q485 PolarHBondContact O-N 2.97Å; Q481-Q485 VanDerWaalsContact O-N 3.11Å; Q485-Q489 WeakPolarHBondContact O-CG 3.45Å; Q485-Q489 PolarHBondContact O-N 3.3Å; Q485-Q489 VanDerWaalsContact O-N 3.16Å
486	Q	71.5	Confident	59.2	Low	116 Å²	116	118.7 Å²	118.7	54%	0.542	56%	0.56	S	S	.	*	H	α-helix	trans	-69.1	-29.8	174.9	-73.3	-177.9	32.1	0	0	113.4	Q482 Q483 Q484 Q490	Q482-Q486 WeakPolarHBondContact O-CG 3.44Å; Q482-Q486 PolarHBondContact O-N 3.06Å; Q482-Q486 VanDerWaalsContact O-N 3.15Å; Q483-Q486 PolarHBondContact O-N 3.49Å; Q484-Q486 VanDerWaalsContact C-N 3.34Å; Q484-Q486 PolarHBondContact O-N 3.12Å; Q486-Q490 WeakPolarHBondContact O-CG 3.28Å; Q486-Q490 PolarHBondContact O-N 3.22Å; Q486-Q490 PolarHBondContact O-NE2 3.44Å
487	Q	65.5	Low	58.4	Low	113 Å²	113	119 Å²	119	53%	0.528	57%	0.566	S	S	.	*	H	α-helix	trans	-74	-40.2	174.5	-72.4	-174.9	35.8	0	0	112.3	Q483 Q484 Q490 Q491	Q483-Q487 WeakPolarHBondContact O-CG 3.24Å; Q483-Q487 PolarHBondContact O-N 3.06Å; Q483-Q487 VanDerWaalsContact O-N 3.08Å; Q484-Q487 PolarHBondContact O-N 3.48Å; Q487-Q490 PolarHBondContact O-N 3.21Å; Q487-Q491 PolarHBondContact O-N 3.23Å; Q487-Q491 VanDerWaalsContact O-N 3.08Å
488	Q	59.6	Low	57.2	Low	133 Å²	133	123.7 Å²	123.7	62%	0.621	58%	0.58	S	S	*	*	H	α-helix	trans	-64.1	-42.4	176.2	-71.6	-177.1	5.7	0	0	112.1	Q484 Q490 Q491 S492	Q484-Q488 PolarHBondContact O-N 3.11Å; Q488-Q490 VanDerWaalsContact C-N 3.3Å; Q488-Q490 PolarHBondContact O-N 3.06Å; Q488-Q491 PolarHBondContact O-N 2.89Å; Q488-Q491 VanDerWaalsContact O-N 3.12Å; Q488-S492 PolarHBondContact O-N 2.92Å; Q488-S492 VanDerWaalsContact O-N 3.08Å; Q488-S492 PolarHBondContact O-OG 3.09Å
489	Q	59.8	Low	55.9	Low	119 Å²	119	123.6 Å²	123.6	56%	0.556	59%	0.588	S	S	*	*	H	α-helix	trans	-62.5	-35.6	175.8	-70.9	-179.1	29	0	0	112.9	Q485 Q493	Q485-Q489 WeakPolarHBondContact O-CG 3.45Å; Q485-Q489 PolarHBondContact O-N 3.3Å; Q485-Q489 VanDerWaalsContact O-N 3.16Å; Q489-Q493 WeakPolarHBondContact O-CG 3.38Å; Q489-Q493 PolarHBondContact O-N 2.91Å
490	Q	56.9	Low	54.2	Low	105 Å²	105	124 Å²	124	49%	0.491	60%	0.6	S	S	.	*	H	α-helix	trans	-71.1	-27.4	174.4	-78	174.7	76.9	0	0	113.6	Q486 Q487 Q488 R494	Q486-Q490 WeakPolarHBondContact O-CG 3.28Å; Q486-Q490 PolarHBondContact O-N 3.22Å; Q486-Q490 PolarHBondContact O-NE2 3.44Å; Q487-Q490 PolarHBondContact O-N 3.21Å; Q488-Q490 VanDerWaalsContact C-N 3.3Å; Q488-Q490 PolarHBondContact O-N 3.06Å; Q490-R494 WeakPolarHBondContact O-CG 3.41Å
491	Q	50.1	Low	52.5	Low	128 Å²	128	127.2 Å²	127.2	60%	0.598	62%	0.615	S	S	*	*	H	α-helix	trans	-76.3	-41.4	175	-71.8	-176	9.8	0	0	111.8	Q487 Q488 Q493 R494	Q487-Q491 PolarHBondContact O-N 3.23Å; Q487-Q491 VanDerWaalsContact O-N 3.08Å; Q488-Q491 PolarHBondContact O-N 2.89Å; Q488-Q491 VanDerWaalsContact O-N 3.12Å; Q491-Q493 PolarHBondContact O-N 2.81Å; Q491-R494 PolarHBondContact O-N 3.49Å
492	S	44.7	Very low	51.1	Low	78 Å²	78	132.2 Å²	132.2	55%	0.545	64%	0.638	S	S	.	*	H	α-helix	trans	-62.4	-39.8	175.1	-60.3	0	0	0	0	112.6	Q488 R494 Q495	Q488-S492 PolarHBondContact O-N 2.92Å; Q488-S492 VanDerWaalsContact O-N 3.08Å; Q488-S492 PolarHBondContact O-OG 3.09Å; S492-R494 PolarHBondContact O-N 3.13Å; S492-Q495 PolarHBondContact O-N 2.91Å
493	Q	47.4	Very low	49.4	Very low	143 Å²	143	134.6 Å²	134.6	67%	0.668	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.7	-13.1	177	-71.1	-179.4	14.5	0	0	114.3	Q489 Q491	Q489-Q493 WeakPolarHBondContact O-CG 3.38Å; Q489-Q493 PolarHBondContact O-N 2.91Å; Q491-Q493 PolarHBondContact O-N 2.81Å
494	R	42.4	Very low	47.6	Very low	178 Å²	178	137.5 Å²	137.5	67%	0.672	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.2	0.2	178.1	-76.8	-143.2	-67.6	-106.2	6.4	114.9	Q490 Q491 S492	Q490-R494 WeakPolarHBondContact O-CG 3.41Å; Q491-R494 PolarHBondContact O-N 3.49Å; S492-R494 PolarHBondContact O-N 3.13Å
495	Q	40.5	Very low	46.3	Very low	149 Å²	149	140.6 Å²	140.6	70%	0.696	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.7	-16.4	175.6	-72.2	-172.6	-15.9	0	0	114	S492	S492-Q495 PolarHBondContact O-N 2.91Å
496	D	39.3	Very low	44.7	Very low	151 Å²	151	142.6 Å²	142.6	81%	0.807	69%	0.685	S	S	*	*	S	Bend	trans	-93.2	0.7	-176.4	-68.5	-37.6	0	0	0	114.6
497	D	33.7	Very low	43.2	Very low	129 Å²	129	146 Å²	146	69%	0.69	70%	0.7	S	S	*	*			trans	-125.3	65.4	-166.7	-143.4	-0.5	0	0	0	113.3
498	Y	31.4	Very low	41.8	Very low	207 Å²	207	146.4 Å²	146.4	81%	0.812	71%	0.706	S	S	*	*			trans	-126	63.9	174	-84.7	-78.9	0	0	0	112.6
499	T	36.8	Very low	41	Very low	113 Å²	113	149.3 Å²	149.3	69%	0.693	72%	0.72	S	S	*	*			trans	-100.6	117.1	162.2	43.4	0	0	0	0	111.5	Q501	T499-Q501 PolarHBondContact O-N 3.16Å; T499-Q501 VanDerWaalsContact O-N 3.12Å
500	P	36.9	Very low	40	Very low	114 Å²	114	152.4 Å²	152.4	74%	0.74	73%	0.734	S	S	*	*			trans	-74.5	101.6	177.3	-14.9	29.9	0	0	0	112.1	H502	P500-H502 PolarHBondContact O-N 2.81Å
501	Q	33.4	Very low	39.7	Very low	167 Å²	167	152.3 Å²	152.3	78%	0.78	74%	0.742	S	S	*	*			trans	-80.7	94.7	166.9	-81.7	-166.3	-20.9	0	0	111.1	T499 H503	T499-Q501 PolarHBondContact O-N 3.16Å; T499-Q501 VanDerWaalsContact O-N 3.12Å; Q501-H503 PolarHBondContact O-N 3.25Å
502	H	38.3	Very low	39.4	Very low	176 Å²	176	152 Å²	152	82%	0.815	75%	0.751	S	S	*	*	P	Polyproline II helix	trans	-71.9	117.7	167.2	-85.6	-84.1	0	0	0	111	P500 H504	P500-H502 PolarHBondContact O-N 2.81Å; H502-H504 PolarHBondContact O-N 3.16Å
503	H	38.1	Very low	39.4	Very low	164 Å²	164	156.9 Å²	156.9	76%	0.759	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-68	128.5	173	-76.8	31	0	0	0	110.8	Q501	Q501-H503 PolarHBondContact O-N 3.25Å
504	H	33.8	Very low	39.1	Very low	170 Å²	170	156.1 Å²	156.1	79%	0.787	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-81.6	135.9	159.5	-80.9	-1.5	0	0	0	109.6	H502	H502-H504 PolarHBondContact O-N 3.16Å
505	H	41.8	Very low	38.8	Very low	183 Å²	183	157.6 Å²	157.6	85%	0.847	78%	0.779	S	S	*	*			trans	-132.1	116.4	152.2	-101.5	47.1	0	0	0	108.1
506	H	36.6	Very low	38.7	Very low	159 Å²	159	158 Å²	158	74%	0.736	78%	0.781	S	S	*	*			trans	-72.1	146.2	162.9	-79.7	-39.1	0	0	0	109.3
507	H	40.4	Very low	38.6	Very low	186 Å²	186	162.7 Å²	162.7	86%	0.861	79%	0.787	S	S	*	*				-150.8	126.5	124.6	-115	-61.6	0	0	0	110.6
508	D	35.9	Very low	38.7	Very low	122 Å²	122	162.4 Å²	162.4	65%	0.652	79%	0.785	S	S	*	*			trans	-63.6	149.5	171.6	-62.8	-85.6	0	0	0	112.4
509	H	42.7	Very low	39.2	Very low	195 Å²	195	160.8 Å²	160.8	90%	0.903	79%	0.785	S	S	*	*				-161.8	153.7	114.8	-88.8	-42.8	0	0	0	111.3
510	Q	39	Very low	39.3	Very low	184 Å²	184	163 Å²	163	86%	0.86	79%	0.787	S	S	*	*			trans	-116.8	-172.6	-160.9	-127.2	-155.4	-7.1	0	0	111.9
511	P	50	Low	39.5	Very low	103 Å²	103	164.9 Å²	164.9	67%	0.669	79%	0.786	S	S	*	*			trans	-110.6	-158.9	-136.8	44.9	-27.1	0	0	0	112.2
512	P	45.4	Very low	39.8	Very low	120 Å²	120	163.3 Å²	163.3	78%	0.779	78%	0.778	S	S	*	*				-149.4	-179.6	65.4	36.4	-12.7	0	0	0	117
513	Q	43.1	Very low	39.7	Very low	182 Å²	182	160.9 Å²	160.9	85%	0.85	77%	0.767	S	S	*	*			trans	-78.7	171.1	172.2	-68.5	-167	-7.1	0	0	113.9
514	P	41.5	Very low	39.6	Very low	126 Å²	126	160.7 Å²	160.7	82%	0.818	77%	0.766	S	S	*	*				-144.4	133.7	121.1	35.9	-20.5	0	0	0	118.3
515	R	35.9	Very low	39.8	Very low	210 Å²	210	156.5 Å²	156.5	79%	0.792	76%	0.756	S	S	*	*			trans	27.3	128.2	135.9	-69.4	-175.2	174.2	167.2	-2.2	123.8
516	Q	38	Very low	39.6	Very low	158 Å²	158	154.9 Å²	154.9	74%	0.738	75%	0.754	S	S	*	*				54.4	128.6	125.6	-62	176.1	-50.1	0	0	121.8
517	R	38.5	Very low	39.6	Very low	249 Å²	249	151.5 Å²	151.5	94%	0.94	75%	0.748	S	S	*	*				-159.1	140.8	123.7	-109.1	178.4	-160.5	-168.2	5.7	112.8
518	D	35	Very low	39.4	Very low	123 Å²	123	149.5 Å²	149.5	66%	0.658	74%	0.744	S	S	*	*			trans	-80.1	163	178.4	-48.6	-94.5	0	0	0	113
519	H	43.1	Very low	39.6	Very low	172 Å²	172	151.5 Å²	151.5	80%	0.796	75%	0.749	S	S	*	*				171.2	115.3	120.8	-86	6.5	0	0	0	115.3
520	H	38.5	Very low	39.2	Very low	160 Å²	160	147.3 Å²	147.3	74%	0.741	74%	0.742	S	S	*	*			trans	21.1	132.3	139.6	-65.4	-80.1	0	0	0	124.9
521	H	39.6	Very low	39.2	Very low	154 Å²	154	146.7 Å²	146.7	71%	0.713	74%	0.739	S	S	*	*				103.7	139.4	119.5	-96.3	-27.8	0	0	0	123.7
522	H	39.6	Very low	38.7	Very low	134 Å²	134	148.4 Å²	148.4	62%	0.62	74%	0.738	S	S	*	*			trans	71.2	144.3	151.3	-87.1	62.5	0	0	0	118.1
523	Q	36.5	Very low	38.2	Very low	125 Å²	125	148.4 Å²	148.4	58%	0.584	73%	0.731	S	S	*	*			cis	-169.4	165.2	-19.9	-138.7	-171.6	27.8	0	0	109
524	Q	37.8	Very low	37.9	Very low	160 Å²	160	146.6 Å²	146.6	75%	0.748	73%	0.727	S	S	*	*			trans	67.9	149.7	157.3	-66.6	-179.1	39.1	0	0	118.5
525	S	37.3	Very low	37.5	Very low	82 Å²	82	148 Å²	148	57%	0.573	72%	0.723	S	S	*	*			cis	-167.5	163	-16.8	50.4	0	0	0	0	112.2
526	N	37.1	Very low	37.5	Very low	148 Å²	148	144.4 Å²	144.4	79%	0.791	72%	0.724	S	S	*	*			trans	80.7	142.2	151.4	-66.3	-13.6	0	0	0	120.2
527	S	37.6	Very low	37.2	Very low	89 Å²	89	141.4 Å²	141.4	62%	0.622	72%	0.72	S	S	*	*			cis	-171.2	140.4	-7.3	45.9	0	0	0	0	113.7
528	N	36	Very low	36.9	Very low	144 Å²	144	135.2 Å²	135.2	77%	0.77	71%	0.71	S	S	*	*			trans	55.7	152.7	138	-58.8	-11.3	0	0	0	120.8
529	Q	38.5	Very low	36.8	Very low	163 Å²	163	137 Å²	137	76%	0.762	72%	0.72	S	S	*	*			cis	-154.9	139.6	14.2	-126.8	154.3	31	0	0	108.6
530	S	35	Very low	36.3	Very low	108 Å²	108	135.5 Å²	135.5	76%	0.755	72%	0.716	S	S	*	*				61.7	143.5	106.2	-53.5	0	0	0	0	116.1
531	E	39.1	Very low	36.1	Very low	171 Å²	171	135.9 Å²	135.9	80%	0.799	72%	0.724	S	S	*	*			cis	-151.1	176.4	18.7	-93.5	-152	-99.5	0	0	110.2
532	H	38.8	Very low	35.7	Very low	139 Å²	139	133 Å²	133	64%	0.644	72%	0.721	S	S	*	*			cis	173.2	138.4	-27.3	-177.4	-153.5	0	0	0	110.6
533	L	36	Very low	35.5	Very low	120 Å²	120	132.3 Å²	132.3	63%	0.628	73%	0.731	S	S	*	*			trans	63.4	155.2	168.9	-64.5	175.3	0	0	0	119.3
534	N	36.8	Very low	35.2	Very low	143 Å²	143	133.8 Å²	133.8	77%	0.765	74%	0.743	S	S	*	*			cis	-147.1	168.8	22.3	-138.8	-15.5	0	0	0	114.9
535	Q	31.9	Very low	35.1	Very low	157 Å²	157	133.1 Å²	133.1	73%	0.734	75%	0.75	S	S	*	*			trans	-103.3	-178.5	-168.5	-57.7	173	9.1	0	0	114.9
536	T	35.8	Very low	34.7	Very low	134 Å²	134	134.6 Å²	134.6	82%	0.822	76%	0.76	S	S	*	*			trans	107.3	146.8	163.1	67.6	0	0	0	0	116.7
537	S	32.1	Very low	34.7	Very low	95 Å²	95	134.2 Å²	134.2	66%	0.664	76%	0.764	S	S	*	*			cis	-166.1	148.3	-28	-94.2	0	0	0	0	109.2
538	T	32.2	Very low	34.6	Very low	118 Å²	118	135.2 Å²	135.2	72%	0.724	77%	0.768	S	S	*	*			trans	32.8	119	150.9	59.9	0	0	0	0	120.3
539	N	33.9	Very low	34.3	Very low	160 Å²	160	135.1 Å²	135.1	86%	0.856	77%	0.766	S	S	*	*				-167.9	150.3	92.4	-108.8	-29.8	0	0	0	114.8
540	I	31.8	Very low	34	Very low	142 Å²	142	135.2 Å²	135.2	73%	0.728	77%	0.772	S	S	*	*			trans	-102.6	138	175.8	-56.9	158	0	0	0	106.6
541	N	35.7	Very low	33.9	Very low	167 Å²	167	138.8 Å²	138.8	89%	0.893	77%	0.774	S	S	*	*			trans	-156.2	121.4	150.1	-107.3	-24.3	0	0	0	112.6
542	S	29.4	Very low	33.5	Very low	94 Å²	94	136.5 Å²	136.5	66%	0.657	77%	0.774	S	S	*	*			trans	-84	146.8	175.3	-50.3	0	0	0	0	110.6
543	S	37.3	Very low	33.2	Very low	119 Å²	119	137.5 Å²	137.5	83%	0.832	78%	0.78	S	S	*	*			trans	-138.9	91.1	162.5	-71.1	0	0	0	0	109.5
544	N	29.1	Very low	32.9	Very low	157 Å²	157	139.6 Å²	139.6	84%	0.84	79%	0.791	S	S	*	*			trans	-75.3	135.2	167.5	-68.5	-31	0	0	0	109.2
545	T	35.7	Very low	32.5	Very low	146 Å²	146	139 Å²	139	90%	0.896	79%	0.786	S	S	*	*			trans	-132.3	113.8	153	14.7	0	0	0	0	109.9
546	S	28.8	Very low	32.4	Very low	112 Å²	112	136.6 Å²	136.6	78%	0.783	79%	0.787	S	S	*	*			trans	-78.2	141.9	-179.7	50.9	0	0	0	0	112.8
547	T	38.2	Very low	32.3	Very low	141 Å²	141	135.3 Å²	135.3	87%	0.865	78%	0.781	S	S	*	*			trans	-140.7	152.8	143.9	30.3	0	0	0	0	110.1
548	P	33.7	Very low	32.2	Very low	109 Å²	109	135.1 Å²	135.1	71%	0.708	78%	0.779	S	S	*	*			trans	-102.1	146.7	-145.8	36.8	-34.9	0	0	0	115.7
549	I	29.6	Very low	32.1	Very low	142 Å²	142	137.8 Å²	137.8	73%	0.728	78%	0.783	S	S	*	*			trans	13.4	117.3	130.4	-53.7	170.7	0	0	0	115.4
550	N	33.3	Very low	32	Very low	166 Å²	166	138.6 Å²	138.6	89%	0.888	79%	0.787	S	S	*	*			trans	-139.9	129.4	136.6	-102.1	-41.2	0	0	0	110.8
551	K	33.1	Very low	31.8	Very low	182 Å²	182	136.4 Å²	136.4	79%	0.791	78%	0.784	S	S	*	*			trans	-83.8	158.2	-175.1	-89.7	178.6	175.4	175.7	0	111.5
552	P	30.9	Very low	31.6	Very low	123 Å²	123	136.6 Å²	136.6	80%	0.799	78%	0.781	S	S	*	*			trans	-73	148.6	177	32.3	-35.8	0	0	0	111
553	M	31.7	Very low	31.8	Very low	160 Å²	160	139.5 Å²	139.5	79%	0.788	79%	0.788	S	S	*	*			trans	-125.6	106.9	168.7	-158.7	171.8	70.4	0	0	111.3	I555	M553-I555 HydrophobicContact CE-CD1 3.64Å; M553-I555 HydrophobicContact CE-CG1 4.25Å; M553-I555 HydrophobicContact CG-CD1 4.36Å; M553-I555 HydrophobicContact CG-CG1 4.19Å; M553-I555 HydrophobicContact SD-CD1 4.09Å
554	I	29.1	Very low	31.8	Very low	164 Å²	164	142.4 Å²	142.4	84%	0.841	79%	0.786	S	S	*	*			trans	-77.7	114.3	169.8	-62	166.4	0	0	0	107.5
555	I	29.8	Very low	32.1	Very low	130 Å²	130	140 Å²	140	67%	0.667	78%	0.779	S	S	*	*			trans	-138.4	120.5	160.8	-58.4	-174.8	0	0	0	110.6	M553	M553-I555 HydrophobicContact CE-CD1 3.64Å; M553-I555 HydrophobicContact CE-CG1 4.25Å; M553-I555 HydrophobicContact CG-CD1 4.36Å; M553-I555 HydrophobicContact CG-CG1 4.19Å; M553-I555 HydrophobicContact SD-CD1 4.09Å
556	S	28.7	Very low	32	Very low	107 Å²	107	140.1 Å²	140.1	75%	0.748	77%	0.769	S	S	*	*			trans	-118.6	167.1	144	-60.2	0	0	0	0	106.1
557	P	34.8	Very low	32.3	Very low	108 Å²	108	139.7 Å²	139.7	70%	0.701	76%	0.757	S	S	*	*			cis	-138.9	179.2	5.9	38	-18.2	0	0	0	115.9
558	S	29.3	Very low	32	Very low	91 Å²	91	141.7 Å²	141.7	64%	0.636	75%	0.75	S	S	*	*			trans	72.8	150.3	140.2	65	0	0	0	0	122.8
559	H	29.6	Very low	32	Very low	173 Å²	173	141.6 Å²	141.6	80%	0.801	74%	0.744	S	S	*	*			trans	71.7	106.2	168.3	-56.5	-78.6	0	0	0	119
560	L	32.6	Very low	32	Very low	178 Å²	178	141.7 Å²	141.7	93%	0.932	74%	0.741	S	S	*	*				-158.9	141.2	121.5	-106.9	161.2	0	0	0	110.8
561	S	28.5	Very low	31.9	Very low	96 Å²	96	138.7 Å²	138.7	67%	0.671	73%	0.729	S	S	*	*			trans	-113.8	175.1	-174.4	51.8	0	0	0	0	111.2
562	M	29.6	Very low	31.9	Very low	170 Å²	170	137 Å²	137	84%	0.837	73%	0.727	S	S	*	*			trans	77.7	146.2	178.2	-42.6	-153.9	71.2	0	0	112.8
563	I	35.1	Very low	31.9	Very low	155 Å²	155	137.7 Å²	137.7	80%	0.795	72%	0.724	S	S	*	*			cis	-136.5	147.3	30.3	-69.6	165.9	0	0	0	111.7
564	K	36.8	Very low	32	Very low	181 Å²	181	135.3 Å²	135.3	79%	0.787	72%	0.72	S	S	*	*			trans	-107	148.9	167.1	-134.4	-172.5	-174.3	-168.3	0	107.9
565	P	36.3	Very low	32.2	Very low	106 Å²	106	137.9 Å²	137.9	69%	0.688	72%	0.721	S	S	*	*				-140.1	143.5	111.2	13.9	9.8	0	0	0	113.4
566	E	33.5	Very low	32.3	Very low	148 Å²	148	135.6 Å²	135.6	69%	0.692	72%	0.716	S	S	*	*				76.1	147.3	99.1	-55.7	-76.5	93.4	0	0	112.6
567	L	34.1	Very low	32.5	Very low	103 Å²	103	137.3 Å²	137.3	54%	0.539	72%	0.715	S	S	.	*			cis	-167.2	169	2.8	-122.6	168.9	0	0	0	110.3
568	Y	32.9	Very low	32.3	Very low	183 Å²	183	137.8 Å²	137.8	72%	0.718	72%	0.722	S	S	*	*			trans	65.5	142.9	160.1	-63.8	-52.9	0	0	0	119.3
569	D	33.3	Very low	32.5	Very low	107 Å²	107	138.7 Å²	138.7	57%	0.572	73%	0.725	S	S	*	*			cis	-154.8	164.4	-5.4	-135.2	-12.8	0	0	0	116.1
570	Q	30	Very low	32.5	Very low	145 Å²	145	136.1 Å²	136.1	68%	0.678	73%	0.725	S	S	*	*			trans	17.3	143.9	141	-73.4	164	61.2	0	0	120.1
571	T	31.1	Very low	32.5	Very low	103 Å²	103	137 Å²	137	63%	0.632	72%	0.721	S	S	*	*			cis	178.5	168	15.7	19.7	0	0	0	0	111.8
572	I	32.5	Very low	32.8	Very low	145 Å²	145	137.6 Å²	137.6	74%	0.744	73%	0.726	S	S	*	*			trans	66.5	131.2	141.9	-73.5	163.3	0	0	0	117
573	L	31.2	Very low	32.8	Very low	139 Å²	139	133.8 Å²	133.8	73%	0.728	72%	0.721	S	S	*	*			cis	-161.7	156.9	7.3	-107.8	168.9	0	0	0	110.1
574	P	33.5	Very low	32.7	Very low	110 Å²	110	131.9 Å²	131.9	71%	0.714	72%	0.722	S	S	*	*			trans	-122.6	124	170.2	36.3	-22.8	0	0	0	115
575	Y	33.7	Very low	32.3	Very low	217 Å²	217	128.1 Å²	128.1	85%	0.851	72%	0.718	S	S	*	*			trans	-157.9	154.5	166.5	-89.4	-94.6	0	0	0	109
576	S	30.5	Very low	31.9	Very low	82 Å²	82	128.3 Å²	128.3	57%	0.573	72%	0.722	S	S	*	*			cis	-175.1	154.4	-26.2	64.2	0	0	0	0	111.1
577	I	32.7	Very low	31.7	Very low	143 Å²	143	126.2 Å²	126.2	73%	0.733	72%	0.724	S	S	*	*			trans	60.2	117	144.9	-60.9	156.2	0	0	0	119.3
578	S	30.8	Very low	31.5	Very low	119 Å²	119	127.2 Å²	127.2	83%	0.832	74%	0.736	S	S	*	*				-173.3	111.3	115.2	-81.7	0	0	0	0	113.1
579	P	33.6	Very low	31.4	Very low	110 Å²	110	125.5 Å²	125.5	71%	0.714	74%	0.74	S	S	*	*			trans	-118.2	148.5	176.1	38.4	-28.4	0	0	0	114.7
580	C	31.3	Very low	31.4	Very low	118 Å²	118	132.3 Å²	132.3	80%	0.797	76%	0.757	S	S	*	*			trans	-144.2	118.6	160.3	-79.6	0	0	0	0	107.6
581	K	32.6	Very low	31.6	Very low	196 Å²	196	134.1 Å²	134.1	85%	0.852	77%	0.766	S	S	*	*				58	128.2	80.6	-64.4	179.5	-178.9	178.3	0	111.2
582	S	33.4	Very low	32	Very low	109 Å²	109	133.4 Å²	133.4	76%	0.762	77%	0.765	S	S	*	*			cis	-162.4	132.1	20.2	48.4	0	0	0	0	109.6
583	A	29.7	Very low	32.8	Very low	90 Å²	90	129.7 Å²	129.7	74%	0.744	75%	0.752	S	S	*	*				90.6	156.9	85.9	0	0	0	0	0	115.5
584	S	33.2	Very low	33.6	Very low	116 Å²	116	126 Å²	126	81%	0.811	74%	0.737	S	S	*	*			trans	66.9	140.8	-175.1	81.9	0	0	0	0	115.8
585	S	28.9	Very low	34.5	Very low	101 Å²	101	126.4 Å²	126.4	71%	0.706	73%	0.729	S	S	*	*			cis	165.3	150.2	-32.9	45.9	0	0	0	0	106.2
586	S	28.5	Very low	35.7	Very low	110 Å²	110	117.6 Å²	117.6	77%	0.769	70%	0.704	S	S	*	*			trans	84.1	127.6	166.9	83.6	0	0	0	0	119.4
587	S	28.8	Very low	37	Very low	105 Å²	105	119.1 Å²	119.1	73%	0.734	70%	0.697	S	S	*	*			trans	113.7	114.9	139.8	-54.8	0	0	0	0	115.9
588	P	30.3	Very low	38.4	Very low	123 Å²	123	114.6 Å²	114.6	80%	0.799	67%	0.673	S	S	*	*			trans	-75.8	170.5	169.9	35.1	-35.2	0	0	0	110.8
589	N	29.3	Very low	40	Very low	147 Å²	147	114.1 Å²	114.1	79%	0.786	66%	0.656	S	S	*	*			trans	70.1	92	164.5	-152.7	10.3	0	0	0	115.9
590	R	33.9	Very low	41.5	Very low	250 Å²	250	113.1 Å²	113.1	94%	0.943	65%	0.645	S	S	*	*			trans	-122.3	125.7	149.3	-82.7	-166.6	174.7	-144.1	-0.4	109.2	S592	R590-S592 PolarHBondContact O-N 3.29Å
591	Q	35.2	Very low	42.7	Very low	183 Å²	183	108.3 Å²	108.3	86%	0.855	61%	0.611	S	S	*	*	P	Polyproline II helix	trans	-53	127.6	-179.2	-66.6	151.1	-55.4	0	0	110.5	S593	Q591-S593 PolarHBondContact O-N 2.94Å
592	S	39.4	Very low	44	Very low	88 Å²	88	106.2 Å²	106.2	62%	0.615	60%	0.602	S	S	*	*	P	Polyproline II helix	trans	-64.3	124.1	161	40.8	0	0	0	0	107.9	R590	R590-S592 PolarHBondContact O-N 3.29Å
593	S	47.4	Very low	45.1	Very low	68 Å²	68	109.6 Å²	109.6	48%	0.476	60%	0.598	S	S	.	*	P	Polyproline II helix	trans	-51.9	140.8	169.7	172.4	0	0	0	0	109.2	Q591 E595 G596 R597	Q591-S593 PolarHBondContact O-N 2.94Å; S593-E595 PolarHBondContact O-N 3.05Å; S593-G596 WeakPolarHBondContact O-CA 3.46Å; S593-G596 PolarHBondContact O-N 3.38Å; S593-R597 PolarHBondContact O-N 3.02Å
594	P	49.1	Very low	46.3	Very low	62 Å²	62	111.8 Å²	111.8	40%	0.403	59%	0.593	S	S	.	*	H	α-helix	trans	-52	-33.4	179.4	18.8	-32.1	0	0	0	112.2	G596 R597 M598	P594-G596 VanDerWaalsContact C-N 3.3Å; P594-G596 PolarHBondContact O-N 3.15Å; P594-R597 PolarHBondContact O-N 3.33Å; P594-M598 WeakPolarHBondContact O-CB 3.36Å; P594-M598 PolarHBondContact O-N 3.16Å
595	E	51.9	Low	47.2	Very low	118 Å²	118	109.9 Å²	109.9	55%	0.551	57%	0.573	S	S	*	*	H	α-helix	trans	-60.7	-34.8	174.9	-139.2	-163.6	133.5	0	0	113.6	S593 K599	S593-E595 PolarHBondContact O-N 3.05Å; E595-K599 WeakPolarHBondContact O-CB 3.4Å; E595-K599 VanDerWaalsContact O-CD 3.31Å; E595-K599 WeakPolarHBondContact O-CD 3.14Å; E595-K599 WeakPolarHBondContact O-CG 3.48Å; E595-K599 PolarHBondContact O-N 3.12Å; E595-K599 VanDerWaalsContact OE1-CE 3.27Å; E595-K599 WeakPolarHBondContact OE1-CE 3.49Å; E595-K599 IonicContact OE1-NZ 3.27Å; E595-K599 PolarHBondContact OE1-NZ 3.15Å
596	G	59	Low	48	Very low	31 Å²	31	108.5 Å²	108.5	32%	0.32	56%	0.564	S	S	.	*	H	α-helix	trans	-72.5	-38.5	175.5	0	0	0	0	0	112.7	S593 P594 K599 N600	S593-G596 WeakPolarHBondContact O-CA 3.46Å; S593-G596 PolarHBondContact O-N 3.38Å; P594-G596 VanDerWaalsContact C-N 3.3Å; P594-G596 PolarHBondContact O-N 3.15Å; G596-K599 PolarHBondContact O-N 3.08Å; G596-N600 PolarHBondContact O-N 3.08Å; G596-N600 VanDerWaalsContact O-N 3.13Å
597	R	58.4	Low	48.9	Very low	114 Å²	114	108.9 Å²	108.9	43%	0.43	56%	0.563	S	S	.	*	H	α-helix	trans	-68.3	-42.3	175.3	-167.9	167.3	173.7	-179	0.4	110.9	E406 M410 S593 P594 K599 N600 I601	E406-R597 IonicContact OE2-CZ 3.25Å; E406-R597 IonicContact OE2-NE 3.56Å; E406-R597 IonicContact OE2-NH2 2.62Å; E406-R597 PolarHBondContact OE2-NH2 3.36Å; M410-R597 HydrophobicContact CE-CG 4.23Å; M410-R597 HydrophobicContact SD-CB 3.89Å; M410-R597 WeakPolarHBondContact SD-CD 3.46Å; M410-R597 HydrophobicContact SD-CG 3.58Å; M410-R597 VanDerWaalsContact SD-CG 3.58Å; S593-R597 PolarHBondContact O-N 3.02Å; P594-R597 PolarHBondContact O-N 3.33Å; R597-K599 VanDerWaalsContact C-N 3.34Å; R597-K599 PolarHBondContact O-N 3.37Å; R597-N600 PolarHBondContact O-N 3.2Å; R597-N600 VanDerWaalsContact O-N 3.16Å; R597-I601 PolarHBondContact O-N 3.46Å
598	M	62	Low	49.6	Very low	49 Å²	49	108.8 Å²	108.8	24%	0.241	56%	0.559	C	S	.	*	H	α-helix	trans	-59.4	-40.4	172.8	-162.5	69	72.4	0	0	112.6	M410 L411 P594 I601 K602	M410-M598 HydrophobicContact CE-CE 3.91Å; M410-M598 HydrophobicContact CE-SD 4.13Å; L411-M598 HydrophobicContact CD2-CE 4.24Å; L411-M598 HydrophobicContact CG-CE 4.49Å; P594-M598 WeakPolarHBondContact O-CB 3.36Å; P594-M598 PolarHBondContact O-N 3.16Å; M598-I601 PolarHBondContact O-N 3.28Å; M598-K602 PolarHBondContact O-N 3.44Å
599	K	65.1	Low	49.7	Very low	108 Å²	108	107.2 Å²	107.2	47%	0.47	57%	0.565	S	S	.	*	H	α-helix	trans	-66.3	-32.4	175.5	-76.3	164.4	-168.4	171.8	0	113.1	E595 G596 R597 R603	E595-K599 WeakPolarHBondContact O-CB 3.4Å; E595-K599 VanDerWaalsContact O-CD 3.31Å; E595-K599 WeakPolarHBondContact O-CD 3.14Å; E595-K599 WeakPolarHBondContact O-CG 3.48Å; E595-K599 PolarHBondContact O-N 3.12Å; E595-K599 VanDerWaalsContact OE1-CE 3.27Å; E595-K599 WeakPolarHBondContact OE1-CE 3.49Å; E595-K599 IonicContact OE1-NZ 3.27Å; E595-K599 PolarHBondContact OE1-NZ 3.15Å; G596-K599 PolarHBondContact O-N 3.08Å; R597-K599 VanDerWaalsContact C-N 3.34Å; R597-K599 PolarHBondContact O-N 3.37Å; K599-R603 PolarHBondContact O-N 3.3Å
600	N	63.8	Low	50	Low	90 Å²	90	108.4 Å²	108.4	48%	0.481	56%	0.563	S	S	.	*	H	α-helix	trans	-73	-42.9	172.9	-83.8	-8.6	0	0	0	112	G596 R597 R603 Q604	G596-N600 PolarHBondContact O-N 3.08Å; G596-N600 VanDerWaalsContact O-N 3.13Å; R597-N600 PolarHBondContact O-N 3.2Å; R597-N600 VanDerWaalsContact O-N 3.16Å; N600-R603 WeakPolarHBondContact O-CA 3.44Å; N600-R603 WeakPolarHBondContact O-CB 3.37Å; N600-R603 PolarHBondContact O-N 3.48Å; N600-Q604 PolarHBondContact O-N 3.08Å
601	I	57.9	Low	49.8	Very low	17 Å²	17	108.1 Å²	108.1	9%	0.087	56%	0.562	C	S	.	*	H	α-helix	trans	-59.9	-48.1	176.1	-72.2	177.7	0	0	0	111.1	I403 A407 M410 R597 M598 R603 Q604 L605	I403-I601 HydrophobicContact CG2-CG2 3.65Å; A407-I601 HydrophobicContact CB-CD1 4.39Å; M410-I601 HydrophobicContact CE-CD1 3.48Å; M410-I601 VanDerWaalsContact CE-CD1 3.48Å; R597-I601 PolarHBondContact O-N 3.46Å; M598-I601 PolarHBondContact O-N 3.28Å; I601-R603 PolarHBondContact O-N 3.17Å; I601-R603 VanDerWaalsContact O-N 3.12Å; I601-Q604 PolarHBondContact O-N 3.43Å; I601-Q604 VanDerWaalsContact O-N 3.09Å; I601-L605 HydrophobicContact CG2-CD1 3.75Å; I601-L605 HydrophobicContact CG2-CG 4.34Å; I601-L605 WeakPolarHBondContact O-CG 3.27Å; I601-L605 PolarHBondContact O-N 2.99Å
602	K	58.3	Low	49.6	Very low	151 Å²	151	108.3 Å²	108.3	66%	0.657	56%	0.56	S	S	*	*	H	α-helix	trans	-56.4	-29.2	173.8	-80.4	-172.8	173.9	-177.5	0	113.6	M598	M598-K602 PolarHBondContact O-N 3.44Å
603	R	57	Low	49.3	Very low	181 Å²	181	108.5 Å²	108.5	68%	0.683	56%	0.56	S	S	*	*	H	α-helix	trans	-81.5	-29.1	179.4	-150.9	-179.1	-60.9	171.6	0.5	112.7	K599 N600 I601	K599-R603 PolarHBondContact O-N 3.3Å; N600-R603 WeakPolarHBondContact O-CA 3.44Å; N600-R603 WeakPolarHBondContact O-CB 3.37Å; N600-R603 PolarHBondContact O-N 3.48Å; I601-R603 PolarHBondContact O-N 3.17Å; I601-R603 VanDerWaalsContact O-N 3.12Å
604	Q	54.1	Low	48.5	Very low	136 Å²	136	115.4 Å²	115.4	64%	0.636	58%	0.577	S	S	*	*	H	α-helix	trans	-78.3	-28.2	172.3	-66.4	-167.3	14.7	0	0	112.4	I403 N600 I601 S606	I403-Q604 HydrophobicContact CD1-CB 4.44Å; N600-Q604 PolarHBondContact O-N 3.08Å; I601-Q604 PolarHBondContact O-N 3.43Å; I601-Q604 VanDerWaalsContact O-N 3.09Å; Q604-S606 PolarHBondContact O-N 3.48Å
605	L	51.9	Low	47.7	Very low	75 Å²	75	120 Å²	120	39%	0.393	59%	0.587	S	S	.	*	T	Hydrogen-bonded Turn	trans	-79	16.2	174.5	-65.2	172.7	0	0	0	114.2	I403 I601	I403-L605 HydrophobicContact CB-CD2 4.49Å; I403-L605 HydrophobicContact CG2-CD1 4.22Å; I403-L605 HydrophobicContact CG2-CD2 3.84Å; I403-L605 HydrophobicContact CG2-CG 3.99Å; I601-L605 HydrophobicContact CG2-CD1 3.75Å; I601-L605 HydrophobicContact CG2-CG 4.34Å; I601-L605 WeakPolarHBondContact O-CG 3.27Å; I601-L605 PolarHBondContact O-N 2.99Å
606	S	46.8	Very low	46.7	Very low	73 Å²	73	122.8 Å²	122.8	51%	0.51	60%	0.6	S	S	.	*			trans	-141.1	83.1	175.3	-65.8	0	0	0	0	111.1	Q604 T608	Q604-S606 PolarHBondContact O-N 3.48Å; S606-T608 PolarHBondContact O-N 3.01Å
607	P	46.8	Very low	45.7	Very low	117 Å²	117	126.4 Å²	126.4	76%	0.76	62%	0.618	S	S	*	*	S	Bend	trans	-62.3	-20.7	176.4	-22.9	34.9	0	0	0	113.8
608	T	43.2	Very low	44.3	Very low	104 Å²	104	130.8 Å²	130.8	64%	0.638	64%	0.636	S	S	*	*	S	Bend	trans	-124	123	178	46.4	0	0	0	0	110.5	S606 K610	S606-T608 PolarHBondContact O-N 3.01Å; T608-K610 PolarHBondContact O-N 3.21Å
609	G	33	Very low	42.9	Very low	90 Å²	90	135.6 Å²	135.6	93%	0.928	66%	0.661	S	S	*	*			trans	-73.4	35	-174.2	0	0	0	0	0	116.1
610	K	36.3	Very low	41.2	Very low	172 Å²	172	138 Å²	138	75%	0.748	67%	0.673	S	S	*	*			trans	-91.8	116.6	177.1	-70.5	-174.3	179.9	179.1	0	110.2	T608	T608-K610 PolarHBondContact O-N 3.21Å
611	R	29.9	Very low	39.8	Very low	243 Å²	243	139.6 Å²	139.6	92%	0.917	69%	0.692	S	S	*	*			trans	-84.6	107.5	-178.6	-176.3	-169.8	-165.7	-151.2	6.9	109.9
612	F	30.1	Very low	38.4	Very low	187 Å²	187	147.2 Å²	147.2	82%	0.82	73%	0.732	S	S	*	*			trans	-120.9	126	169.5	-90.9	-81.4	0	0	0	112.2
613	P	32.7	Very low	37.1	Very low	93 Å²	93	147 Å²	147	60%	0.604	74%	0.735	S	S	*	*			trans	-84.7	169.6	166.2	34.3	-29.9	0	0	0	111.3
614	Y	32.1	Very low	36.1	Very low	213 Å²	213	145.9 Å²	145.9	84%	0.835	74%	0.737	S	S	*	*			trans	72.5	88.4	176.9	-56.6	-81.5	0	0	0	117.3
615	Y	30.8	Very low	35.1	Very low	158 Å²	158	145.3 Å²	145.3	62%	0.62	75%	0.745	S	S	*	*			trans	-145.8	115	136.5	-104.4	-82.3	0	0	0	109.5
616	Q	31.2	Very low	34.1	Very low	177 Å²	177	149 Å²	149	83%	0.827	77%	0.765	S	S	*	*			trans	-102.3	135.1	151.7	-79.9	-170.3	-68.2	0	0	106.9	Y618	Q616-Y618 PolarHBondContact O-N 3.15Å
617	P	37.3	Very low	33.5	Very low	106 Å²	106	154.3 Å²	154.3	69%	0.688	78%	0.782	S	S	*	*			trans	-73.6	125.1	176.8	29.5	-32.5	0	0	0	110	I619	P617-I619 VanDerWaalsContact C-N 3.34Å; P617-I619 PolarHBondContact O-N 3.35Å
618	Y	30.9	Very low	32.8	Very low	207 Å²	207	156.1 Å²	156.1	81%	0.812	79%	0.785	S	S	*	*			trans	-70.9	89.6	168.8	-88.9	-85.9	0	0	0	110.2	Q616 H620	Q616-Y618 PolarHBondContact O-N 3.15Å; Y618-H620 HydrophobicContact CD1-CB 4.45Å; Y618-H620 PolarHBondContact O-N 2.97Å
619	I	32.3	Very low	32.3	Very low	149 Å²	149	158.5 Å²	158.5	76%	0.764	79%	0.793	S	S	*	*			trans	-78.6	70.8	161.6	-53.2	-179.6	0	0	0	107.8	P617	P617-I619 VanDerWaalsContact C-N 3.34Å; P617-I619 PolarHBondContact O-N 3.35Å
620	H	29.6	Very low	32.2	Very low	158 Å²	158	163.4 Å²	163.4	73%	0.731	79%	0.789	S	S	*	*			trans	-148.1	86	177.7	-87.7	-84.5	0	0	0	111	Y618	Y618-H620 HydrophobicContact CD1-CB 4.45Å; Y618-H620 PolarHBondContact O-N 2.97Å
621	S	33	Very low	32.2	Very low	124 Å²	124	162.3 Å²	162.3	87%	0.867	80%	0.796	S	S	*	*	S	Bend	trans	-172.9	-7.4	157.2	-85.2	0	0	0	0	114.3	M623	S621-M623 PolarHBondContact O-N 2.96Å
622	L	30	Very low	32.4	Very low	177 Å²	177	157.6 Å²	157.6	93%	0.927	79%	0.785	S	S	*	*			trans	-95.2	53.5	174.4	-71.7	168.8	0	0	0	112.6
623	M	30.6	Very low	32.5	Very low	147 Å²	147	156.3 Å²	156.3	72%	0.724	78%	0.779	S	S	*	*	S	Bend	trans	-144.9	80.6	174.4	-78.5	-89.9	78.3	0	0	111.1	S621	S621-M623 PolarHBondContact O-N 2.96Å
624	H	34.5	Very low	32.5	Very low	158 Å²	158	159.8 Å²	159.8	73%	0.731	79%	0.792	S	S	*	*			trans	59.1	143.6	164.8	-52.1	-78	0	0	0	117.6
625	P	33.5	Very low	32.6	Very low	123 Å²	123	159.3 Å²	159.3	80%	0.799	79%	0.794	S	S	*	*				-141.3	116.6	85.4	34	-17	0	0	0	112.9
626	N	31.4	Very low	32.4	Very low	153 Å²	153	155.2 Å²	155.2	82%	0.818	80%	0.8	S	S	*	*			trans	-122.2	154.5	156.7	-88.4	-19.5	0	0	0	108.3
627	E	34	Very low	32.4	Very low	185 Å²	185	157 Å²	157	86%	0.864	81%	0.806	S	S	*	*			trans	82.8	81.3	177.4	-48	-134.4	140.7	0	0	116.8	N629	E627-N629 PolarHBondContact O-N 3.42Å
628	L	32.1	Very low	32.1	Very low	155 Å²	155	158 Å²	158	81%	0.812	81%	0.806	S	S	*	*				-5.3	118.7	123.6	-69.3	155.5	0	0	0	115.1
629	N	33.6	Very low	32	Very low	153 Å²	153	156.3 Å²	156.3	82%	0.818	81%	0.805	S	S	*	*				-174.1	161.1	104.5	-98.2	-55.5	0	0	0	114.3	E627	E627-N629 PolarHBondContact O-N 3.42Å
630	K	31.3	Very low	32	Very low	194 Å²	194	155.4 Å²	155.4	84%	0.843	81%	0.812	S	S	*	*			trans	-69.5	152.1	-177.7	-56.6	164.2	179.3	173.7	0	112.2
631	V	34.4	Very low	32	Very low	148 Å²	148	157.7 Å²	157.7	90%	0.897	82%	0.819	S	S	*	*				-172.5	163.4	125.3	143.5	0	0	0	0	109.9
632	E	34.2	Very low	32.2	Very low	145 Å²	145	157.9 Å²	157.9	68%	0.678	82%	0.816	S	S	*	*			trans	-89.9	156.2	-156.2	-61.8	-178.4	88.2	0	0	117.5
633	K	32.7	Very low	32.1	Very low	160 Å²	160	157.3 Å²	157.3	70%	0.696	81%	0.813	S	S	*	*			trans	24.5	128.1	136.3	-53.8	162.6	-171.1	148.8	0	118.5
634	N	33.3	Very low	32.2	Very low	165 Å²	165	156.4 Å²	156.4	88%	0.882	82%	0.821	S	S	*	*				-168.3	164.4	106.6	-99.6	-35.8	0	0	0	115
635	K	34.8	Very low	32.2	Very low	203 Å²	203	160.2 Å²	160.2	88%	0.883	83%	0.829	S	S	*	*			trans	-71.9	147.6	-173	-71.9	173.1	171.9	176.6	0	113.6
636	G	25.8	Very low	31.9	Very low	72 Å²	72	159.5 Å²	159.5	74%	0.742	83%	0.827	S	S	*	*			trans	-80.2	-160.2	180	0	0	0	0	0	117.5
637	F	31.2	Very low	31.8	Very low	215 Å²	215	160.7 Å²	160.7	94%	0.943	83%	0.832	S	S	*	*			trans	-153.2	160.1	168.5	-132	-93.1	0	0	0	111.1
638	N	31.5	Very low	32	Very low	128 Å²	128	157.8 Å²	157.8	68%	0.684	83%	0.827	S	S	*	*			trans	-102.1	159.4	-172.5	-108.6	4.7	0	0	0	113.3
639	E	28.1	Very low	32	Very low	170 Å²	170	157.4 Å²	157.4	79%	0.794	83%	0.831	S	S	*	*			trans	60.1	121.5	148.7	-68.8	175.8	-155.1	0	0	121.6
640	S	32.7	Very low	31.9	Very low	130 Å²	130	156 Å²	156	91%	0.909	83%	0.829	S	S	*	*				-163	142.8	123.5	-85.1	0	0	0	0	112.2
641	K	29.6	Very low	31.9	Very low	206 Å²	206	156.2 Å²	156.2	90%	0.896	83%	0.832	S	S	*	*			trans	-104.2	131.8	-179	-63.3	166.5	179.3	165.8	0	110.7
642	T	35.8	Very low	31.8	Very low	128 Å²	128	154 Å²	154	79%	0.785	83%	0.83	S	S	*	*			trans	-155.6	112.8	153.6	34.9	0	0	0	0	113.6
643	L	29.1	Very low	31.9	Very low	166 Å²	166	156 Å²	156	87%	0.869	84%	0.839	S	S	*	*			trans	42.7	102.9	132.9	-65.3	159.3	0	0	0	120.2
644	S	33	Very low	32	Very low	127 Å²	127	157 Å²	157	89%	0.888	85%	0.849	S	S	*	*				-156.9	149.7	129.9	-8.1	0	0	0	0	110.8
645	R	33.2	Very low	32.1	Very low	238 Å²	238	156.9 Å²	156.9	90%	0.898	85%	0.847	S	S	*	*			trans	-88.2	152.3	-173.6	-74.9	172.4	166.1	158.9	-6.8	112.6
646	S	27.6	Very low	32.7	Very low	109 Å²	109	152.1 Å²	152.1	76%	0.762	83%	0.826	S	S	*	*			trans	52.4	101.6	148.6	59.3	0	0	0	0	118.9
647	L	30.1	Very low	33.6	Very low	178 Å²	178	150.6 Å²	150.6	93%	0.932	80%	0.804	S	S	*	*				-158.7	141.1	124.4	-103.9	165	0	0	0	108.9
648	T	37.8	Very low	34.3	Very low	123 Å²	123	145.3 Å²	145.3	76%	0.755	79%	0.791	S	S	*	*			trans	-83.7	144.1	-170.1	41.9	0	0	0	0	113.5	T650	T648-T650 PolarHBondContact O-N 3Å
649	T	31.4	Very low	35.4	Very low	147 Å²	147	144 Å²	144	90%	0.902	79%	0.787	S	S	*	*	S	Bend	trans	-60.3	80.8	-179.7	-47.2	0	0	0	0	113.8
650	T	31.5	Very low	36.5	Very low	124 Å²	124	140.5 Å²	140.5	76%	0.761	77%	0.771	S	S	*	*			trans	-154	-3.4	171.6	-24	0	0	0	0	117.5	T648	T648-T650 PolarHBondContact O-N 3Å
651	Q	31.4	Very low	37.4	Very low	198 Å²	198	141.4 Å²	141.4	93%	0.925	76%	0.755	S	S	*	*			trans	-138.5	89.1	-179.9	-72.4	-172	-12.7	0	0	113.6
652	A	32.6	Very low	38.4	Very low	103 Å²	103	137.5 Å²	137.5	85%	0.851	74%	0.743	S	S	*	*			trans	-152.6	-9.5	166	0	0	0	0	0	114.6
653	Q	36.4	Very low	39	Very low	185 Å²	185	137 Å²	137	86%	0.864	74%	0.735	S	S	*	*			trans	-102.1	86.7	178.6	-68.6	-176.3	-4.7	0	0	110.4	I655	Q653-I655 PolarHBondContact O-N 3.4Å
654	M	34.1	Very low	39.8	Very low	183 Å²	183	134.1 Å²	134.1	90%	0.901	72%	0.718	S	S	*	*			trans	-65.7	117.5	164.5	-79.8	-160.3	-69.9	0	0	109.4	K656	M654-K656 PolarHBondContact O-N 3.32Å
655	I	36.7	Very low	40.7	Very low	162 Å²	162	135.4 Å²	135.4	83%	0.831	71%	0.71	S	S	*	*			trans	-71.4	90.8	-175	-58	167.6	0	0	0	109.1	Q653 S657	Q653-I655 PolarHBondContact O-N 3.4Å; I655-S657 PolarHBondContact O-N 3.41Å
656	K	46.7	Very low	41.2	Very low	103 Å²	103	128.1 Å²	128.1	45%	0.448	70%	0.696	S	S	.	*			trans	-74.2	116.9	157.9	-67.4	-172.1	-179.4	-175.7	0	107.7	M654 M664	M654-K656 PolarHBondContact O-N 3.32Å; K656-M664 HydrophobicContact CD-SD 4.37Å; K656-M664 PolarHBondContact NZ-SD 2.78Å
657	S	45.4	Very low	41.9	Very low	40 Å²	40	128.4 Å²	128.4	28%	0.28	69%	0.688	S	S	.	*			trans	-59.2	153.9	176.5	71.2	0	0	0	0	110.7	I655 T659 Q660 R661	I655-S657 PolarHBondContact O-N 3.41Å; S657-T659 PolarHBondContact O-N 2.86Å; S657-Q660 PolarHBondContact O-N 2.96Å; S657-Q660 WeakPolarHBondContact OG-CG 3.09Å; S657-Q660 PolarHBondContact OG-N 2.9Å; S657-R661 PolarHBondContact O-N 3.46Å
658	P	46.4	Very low	42.5	Very low	103 Å²	103	125.7 Å²	125.7	67%	0.669	68%	0.681	S	S	*	*	H	α-helix	trans	-52.7	-40.6	178.2	-28.4	36.4	0	0	0	112.8	Q660 R661 L662	P658-Q660 PolarHBondContact O-N 3.42Å; P658-R661 PolarHBondContact O-N 3.11Å; P658-R661 VanDerWaalsContact O-N 3.16Å; P658-L662 PolarHBondContact O-N 3.31Å; P658-L662 VanDerWaalsContact O-N 3.13Å
659	T	54.7	Low	42.7	Very low	100 Å²	100	125.3 Å²	125.3	61%	0.613	68%	0.683	S	S	*	*	H	α-helix	trans	-62	-41.5	176.1	-35.9	0	0	0	0	112.9	S657 R661 L663	S657-T659 PolarHBondContact O-N 2.86Å; T659-R661 VanDerWaalsContact C-N 3.32Å; T659-L663 PolarHBondContact O-N 2.88Å
660	Q	50.6	Low	43.1	Very low	97 Å²	97	123.1 Å²	123.1	45%	0.453	67%	0.674	S	S	.	*	H	α-helix	trans	-73.9	-22.3	175.7	-74.3	178.1	-12.1	0	0	113	S657 P658 M664	S657-Q660 PolarHBondContact O-N 2.96Å; S657-Q660 WeakPolarHBondContact OG-CG 3.09Å; S657-Q660 PolarHBondContact OG-N 2.9Å; P658-Q660 PolarHBondContact O-N 3.42Å; Q660-M664 WeakPolarHBondContact O-CG 3.49Å; Q660-M664 PolarHBondContact O-N 3.43Å
661	R	50.7	Low	43.2	Very low	149 Å²	149	124.5 Å²	124.5	56%	0.562	68%	0.677	S	S	*	*	H	α-helix	trans	-75.5	-36.6	175.7	-153.7	178.6	-66.4	-161.7	0.8	111.4	S657 P658 T659 M664 Q665	S657-R661 PolarHBondContact O-N 3.46Å; P658-R661 PolarHBondContact O-N 3.11Å; P658-R661 VanDerWaalsContact O-N 3.16Å; T659-R661 VanDerWaalsContact C-N 3.32Å; R661-M664 PolarHBondContact O-N 3.06Å; R661-Q665 PolarHBondContact O-N 3.47Å
662	L	50.9	Low	43.3	Very low	124 Å²	124	129 Å²	129	65%	0.649	69%	0.687	S	S	*	*	H	α-helix	trans	-62.7	-47.6	169.5	-84.3	158.4	0	0	0	112	P658 M664 Q665	P658-L662 PolarHBondContact O-N 3.31Å; P658-L662 VanDerWaalsContact O-N 3.13Å; L662-M664 PolarHBondContact O-N 3.08Å; L662-M664 VanDerWaalsContact O-N 3.15Å; L662-Q665 PolarHBondContact O-N 3.17Å
663	L	48.5	Very low	43.9	Very low	119 Å²	119	130.3 Å²	130.3	62%	0.623	68%	0.679	S	S	*	*	H	α-helix	trans	-66	-13.8	177.9	-76.3	166.8	0	0	0	114.9	T659 S666	T659-L663 PolarHBondContact O-N 2.88Å; L663-S666 PolarHBondContact O-OG 3.27Å
664	M	46.8	Very low	44.3	Very low	105 Å²	105	127.4 Å²	127.4	52%	0.517	67%	0.669	S	S	.	*	H	α-helix	trans	-96.7	-10.4	172.3	-74.3	-150.5	75.3	0	0	114	K656 Q660 R661 L662	K656-M664 HydrophobicContact CD-SD 4.37Å; K656-M664 PolarHBondContact NZ-SD 2.78Å; Q660-M664 WeakPolarHBondContact O-CG 3.49Å; Q660-M664 PolarHBondContact O-N 3.43Å; R661-M664 PolarHBondContact O-N 3.06Å; L662-M664 PolarHBondContact O-N 3.08Å; L662-M664 VanDerWaalsContact O-N 3.15Å
665	Q	51.3	Low	44.8	Very low	154 Å²	154	124.3 Å²	124.3	72%	0.72	66%	0.657	S	S	*	*	H	α-helix	trans	-89.8	-14.2	174.5	-75.9	-179.4	-22	0	0	112.8	R661 L662 L667	R661-Q665 PolarHBondContact O-N 3.47Å; L662-Q665 PolarHBondContact O-N 3.17Å; Q665-L667 VanDerWaalsContact C-N 3.33Å
666	S	43.6	Very low	45.3	Very low	85 Å²	85	122.1 Å²	122.1	59%	0.594	65%	0.646	S	S	*	*	S	Bend	trans	-89.7	13.3	175.5	55.3	0	0	0	0	114.3	L663	L663-S666 PolarHBondContact O-OG 3.27Å
667	L	41.6	Very low	45.2	Very low	115 Å²	115	123.3 Å²	123.3	60%	0.602	66%	0.659	S	S	*	*	S	Bend	trans	-97	119.3	172.3	-70.7	173.8	0	0	0	109.4	Q665 S669	Q665-L667 VanDerWaalsContact C-N 3.33Å; L667-S669 PolarHBondContact O-N 3.12Å
668	P	43.6	Very low	45.2	Very low	120 Å²	120	128.9 Å²	128.9	78%	0.779	68%	0.684	S	S	*	*			trans	-65	123.7	172.8	26.8	-32.4	0	0	0	109.2	S670	P668-S670 PolarHBondContact O-N 3.29Å
669	S	42.6	Very low	45.1	Very low	115 Å²	115	130.7 Å²	130.7	80%	0.804	69%	0.685	S	S	*	*			trans	-70	101.1	167.7	-66.7	0	0	0	0	108.1	L667 D671	L667-S669 PolarHBondContact O-N 3.12Å; S669-D671 PolarHBondContact O-N 3.33Å
670	S	40.1	Very low	44.4	Very low	101 Å²	101	133.1 Å²	133.1	71%	0.706	69%	0.691	S	S	*	*			trans	-76.6	109.4	166.1	179	0	0	0	0	108	P668 Y672	P668-S670 PolarHBondContact O-N 3.29Å; S670-Y672 PolarHBondContact O-N 3.49Å
671	D	32.3	Very low	43.9	Very low	153 Å²	153	136.1 Å²	136.1	82%	0.818	71%	0.71	S	S	*	*			trans	-63.3	111.6	163.7	-72.6	-48.8	0	0	0	109.3	S669	S669-D671 PolarHBondContact O-N 3.33Å
672	Y	34.5	Very low	43.3	Very low	293 Å²	293	134.9 Å²	134.9	100%	1.149	72%	0.724	S	S	*	*			trans	-163	0	156.7	-103.1	-68.3	0	0	0	111	S670	S670-Y672 PolarHBondContact O-N 3.49Å

Retrieved 672 of 672 residues in 596.3 ms (Link to these results)

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